1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine

C15H29N — CID 137427496

IUPAC1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine
SMILESCC1CC[C@H](C)CC(CN2CCCCC2)C1
InChIInChI=1S/C15H29N/c1-13-6-7-14(2)11-15(10-13)12-16-8-4-3-5-9-16/h13-15H,3-12H2,1-2H3/t13-,14?,15?/m0/s1
InChIKeyPHHLSMFKMSTZIB-NFOMZHRRSA-N
MW223.40 g/mol
LogP3.93
Rot. Bonds2

About 1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine

1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine (PubChem CID 137427496) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine
PubChem CID137427496
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine
SMILESCC1CC[C@H](C)CC(CN2CCCCC2)C1
InChIInChI=1S/C15H29N/c1-13-6-7-14(2)11-15(10-13)12-16-8-4-3-5-9-16/h13-15H,3-12H2,1-2H3/t13-,14?,15?/m0/s1
InChIKeyPHHLSMFKMSTZIB-NFOMZHRRSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-methylcyclobutyl)methyl]piperidine
CID 120999950
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415125
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642
3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415122
3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid
CID 83820985
3-(piperidin-1-ylmethyl)cyclohexan-1-amine
CID 63044906
1-(cyclohexylmethyl)piperidine;ethane;ethanol
CID 143571293
(3aS,5R,6R,7aS)-2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-5,6-diol
CID 129404445
3-(azepan-1-ylmethyl)-1-methylazocane
CID 129168492
(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride
CID 120845899

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine?
The IUPAC name of 1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine (CID 137427496) is 1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine.
What is the SMILES notation for 1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine?
The canonical SMILES for 1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine is CC1CC[C@H](C)CC(CN2CCCCC2)C1.
What is the InChIKey of 1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine?
The InChIKey is PHHLSMFKMSTZIB-NFOMZHRRSA-N. The full InChI is InChI=1S/C15H29N/c1-13-6-7-14(2)11-15(10-13)12-16-8-4-3-5-9-16/h13-15H,3-12H2,1-2H3/t13-,14?,15?/m0/s1.
What are the key properties of 1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine?
1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine has a molecular weight of 223.40 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine is sourced from PubChem (CID 137427496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).