3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C50H111N7 — CID 157363951

IUPAC3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.C.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC1CC(C)CN(C(C)C)C1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H19N.C8H18N2.C8H17N.C7H15N.C6H13N.2CH4/c1-8(2)11-6-9(3)5-10(4)7-11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;;/h8-10H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;2*1H4
InChIKeyBIYQAHJTLYOGKV-UHFFFAOYSA-N
MW810.49 g/mol
LogP10.89
Rot. Bonds6

About 3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 157363951) has the molecular formula C50H111N7 and a molecular weight of 810.49 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID157363951
Molecular FormulaC50H111N7
Molecular Weight810.49 g/mol
Exact Mass809.89
IUPAC Name3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.C.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC1CC(C)CN(C(C)C)C1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H19N.C8H18N2.C8H17N.C7H15N.C6H13N.2CH4/c1-8(2)11-6-9(3)5-10(4)7-11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;;/h8-10H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;2*1H4
InChIKeyBIYQAHJTLYOGKV-UHFFFAOYSA-N
XLogP10.89
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.49
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

Ethane;1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine;4-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 153544590
1-Tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-[2-[4-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-1-yl]-2-methylpropyl]piperazine
CID 155296859
1,4-Bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;ethane;4-ethyl-1-propan-2-ylpiperidine;2-methylpropane
CID 155702637
3-(3-Methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine
CID 157104981
Methane;1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
CID 157230415
3,5-Dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157508862
1-Tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 157509433
Ethane;methane;3-methyl-1-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine
CID 157729877
1-Tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;ethane
CID 157932353
3,5-Dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157971285
1-Cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine
CID 158413632
1-Methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
CID 158423462

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of 3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 157363951) is 3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is C.C.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC1CC(C)CN(C(C)C)C1.CC1CCN(C(C)C)CC1.
What is the InChIKey of 3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is BIYQAHJTLYOGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H19N.C8H18N2.C8H17N.C7H15N.C6H13N.2CH4/c1-8(2)11-6-9(3)5-10(4)7-11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;;/h8-10H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;2*1H4.
What are the key properties of 3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 810.49 g/mol, XLogP of 10.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 157363951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).