4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine

C97H209F2N13O2 — CID 167706385

IUPAC4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine
SMILESC.C.CC(C)CN1CC(C)C1.CC(C)CN1CCC(C)CC1.CC(C)CN1CCC(F)(F)CC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CC(C)NC1CCN(C)CC1.CC(C)OC1CCN(C)CC1.CC(C)OCCN1CCCC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H17F2N.C9H20N2.2C9H19NO.2C9H19N.C8H18N2.2C8H17N.C7H15N.2CH4/c1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)7-12-5-3-9(10,11)4-6-12;1-8(2)10-9-4-6-11(3)7-5-9;1-8(2)11-9-4-6-10(3)7-5-9;1-9(2)11-8-7-10-5-3-4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)4-9-5-8(3)6-9;1-8(2)7-9-5-3-4-6-9;1-7(2)8-5-3-4-6-8;;/h9-10H,4-8H2,1-3H3;8H,3-7H2,1-2H3;8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*1H4
InChIKeyZDVDHAIYPWEBMS-UHFFFAOYSA-N
MW1627.82 g/mol
LogP19.83
Rot. Bonds21

About 4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine

4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine (PubChem CID 167706385) has the molecular formula C97H209F2N13O2 and a molecular weight of 1627.82 g/mol. Its IUPAC name is 4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine
PubChem CID167706385
Molecular FormulaC97H209F2N13O2
Molecular Weight1627.82 g/mol
Exact Mass1626.66
IUPAC Name4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine
SMILESC.C.CC(C)CN1CC(C)C1.CC(C)CN1CCC(C)CC1.CC(C)CN1CCC(F)(F)CC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CC(C)NC1CCN(C)CC1.CC(C)OC1CCN(C)CC1.CC(C)OCCN1CCCC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H17F2N.C9H20N2.2C9H19NO.2C9H19N.C8H18N2.2C8H17N.C7H15N.2CH4/c1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)7-12-5-3-9(10,11)4-6-12;1-8(2)10-9-4-6-11(3)7-5-9;1-8(2)11-9-4-6-10(3)7-5-9;1-9(2)11-8-7-10-5-3-4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)4-9-5-8(3)6-9;1-8(2)7-9-5-3-4-6-9;1-7(2)8-5-3-4-6-8;;/h9-10H,4-8H2,1-3H3;8H,3-7H2,1-2H3;8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*1H4
InChIKeyZDVDHAIYPWEBMS-UHFFFAOYSA-N
XLogP19.83
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001627.82
LogP ≤ 519.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine?
The IUPAC name of 4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine (CID 167706385) is 4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine is C.C.CC(C)CN1CC(C)C1.CC(C)CN1CCC(C)CC1.CC(C)CN1CCC(F)(F)CC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CC(C)NC1CCN(C)CC1.CC(C)OC1CCN(C)CC1.CC(C)OCCN1CCCC1.CC1CCN(C(C)C)CC1.
What is the InChIKey of 4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine?
The InChIKey is ZDVDHAIYPWEBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H17F2N.C9H20N2.2C9H19NO.2C9H19N.C8H18N2.2C8H17N.C7H15N.2CH4/c1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)7-12-5-3-9(10,11)4-6-12;1-8(2)10-9-4-6-11(3)7-5-9;1-8(2)11-9-4-6-10(3)7-5-9;1-9(2)11-8-7-10-5-3-4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)4-9-5-8(3)6-9;1-8(2)7-9-5-3-4-6-9;1-7(2)8-5-3-4-6-8;;/h9-10H,4-8H2,1-3H3;8H,3-7H2,1-2H3;8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*1H4.
What are the key properties of 4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine?
4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine has a molecular weight of 1627.82 g/mol, XLogP of 19.83, 21 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 167706385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).