(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride

C13H27ClN2 — CID 120845899

IUPAC(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride
SMILESCC1CCCC(CN2CCC[C@@H](N)C2)C1.Cl
InChIInChI=1S/C13H26N2.ClH/c1-11-4-2-5-12(8-11)9-15-7-3-6-13(14)10-15;/h11-13H,2-10,14H2,1H3;1H/t11?,12?,13-;/m1./s1
InChIKeyIIGSPHGOWVQTNK-MCEQWSITSA-N
MW246.83 g/mol
LogP2.66
Rot. Bonds2

About (3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride

(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride (PubChem CID 120845899) has the molecular formula C13H27ClN2 and a molecular weight of 246.83 g/mol. Its IUPAC name is (3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride
PubChem CID120845899
Molecular FormulaC13H27ClN2
Molecular Weight246.83 g/mol
Exact Mass246.19
IUPAC Name(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride
SMILESCC1CCCC(CN2CCC[C@@H](N)C2)C1.Cl
InChIInChI=1S/C13H26N2.ClH/c1-11-4-2-5-12(8-11)9-15-7-3-6-13(14)10-15;/h11-13H,2-10,14H2,1H3;1H/t11?,12?,13-;/m1./s1
InChIKeyIIGSPHGOWVQTNK-MCEQWSITSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.83
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837602
3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046292
N-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120834026
1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843314
1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanol
CID 110019671
3-(piperidin-1-ylmethyl)cyclohexan-1-amine
CID 63044906
1-[(3-methylcyclohexyl)methyl]piperidin-2-amine
CID 163170987
3-bromo-4-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidine
CID 130909248
1-(oxan-3-ylmethyl)piperidin-3-amine
CID 63741135
1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine
CID 106021248
1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844533
1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine
CID 137427496

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride (CID 120845899) is (3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride is CC1CCCC(CN2CCC[C@@H](N)C2)C1.Cl.
What is the InChIKey of (3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride?
The InChIKey is IIGSPHGOWVQTNK-MCEQWSITSA-N. The full InChI is InChI=1S/C13H26N2.ClH/c1-11-4-2-5-12(8-11)9-15-7-3-6-13(14)10-15;/h11-13H,2-10,14H2,1H3;1H/t11?,12?,13-;/m1./s1.
What are the key properties of (3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride?
(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride has a molecular weight of 246.83 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 120845899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).