1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine

C84H177N9O — CID 160709662

IUPAC1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCCN(C)C1.CC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1COCCN(C)C1.CCN1CCC(C(C)C)CC1.CCN1CCCC(C(C)C)C1.CCN1CCCCC1C(C)C
InChIInChI=1S/4C10H21N.C9H19NO.3C9H19N.C8H17N/c1-9(2)10-6-4-5-7-11(3)8-10;1-4-11-7-5-10(6-8-11)9(2)3;1-4-11-7-5-6-10(8-11)9(2)3;1-4-11-8-6-5-7-10(11)9(2)3;1-8(2)9-6-10(3)4-5-11-7-9;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-7(2)8-4-5-9(3)6-8/h4*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;3*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3
InChIKeyRRRNMNUMPNNIEE-UHFFFAOYSA-N
MW1329.40 g/mol
LogP18.55
Rot. Bonds12

About 1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine

1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine (PubChem CID 160709662) has the molecular formula C84H177N9O and a molecular weight of 1329.40 g/mol. Its IUPAC name is 1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
PubChem CID160709662
Molecular FormulaC84H177N9O
Molecular Weight1329.40 g/mol
Exact Mass1328.41
IUPAC Name1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCCN(C)C1.CC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1COCCN(C)C1.CCN1CCC(C(C)C)CC1.CCN1CCCC(C(C)C)C1.CCN1CCCCC1C(C)C
InChIInChI=1S/4C10H21N.C9H19NO.3C9H19N.C8H17N/c1-9(2)10-6-4-5-7-11(3)8-10;1-4-11-7-5-10(6-8-11)9(2)3;1-4-11-7-5-6-10(8-11)9(2)3;1-4-11-8-6-5-7-10(11)9(2)3;1-8(2)9-6-10(3)4-5-11-7-9;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-7(2)8-4-5-9(3)6-8/h4*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;3*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3
InChIKeyRRRNMNUMPNNIEE-UHFFFAOYSA-N
XLogP18.55
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001329.40
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

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CID 118445298
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
1-ethylpiperidine;4-methylmorpholine
CID 70445137
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine
CID 143713816
(3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
CID 171641277
1-(oxolan-3-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 104746984
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 104746479
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine
CID 79328072
cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride
CID 159526811
methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine
CID 159345239

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine?
The IUPAC name of 1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;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 160709662) is 1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine is CC(C)C1CCCCN(C)C1.CC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1COCCN(C)C1.CCN1CCC(C(C)C)CC1.CCN1CCCC(C(C)C)C1.CCN1CCCCC1C(C)C.
What is the InChIKey of 1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine?
The InChIKey is RRRNMNUMPNNIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H21N.C9H19NO.3C9H19N.C8H17N/c1-9(2)10-6-4-5-7-11(3)8-10;1-4-11-7-5-10(6-8-11)9(2)3;1-4-11-7-5-6-10(8-11)9(2)3;1-4-11-8-6-5-7-10(11)9(2)3;1-8(2)9-6-10(3)4-5-11-7-9;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-7(2)8-4-5-9(3)6-8/h4*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;3*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine?
1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine has a molecular weight of 1329.40 g/mol, XLogP of 18.55, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 160709662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).