cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride

C15H31ClN2 — CID 141194202

IUPACcis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
SMILESCCCC1CCCN(C[C@@H]2CCCC[C@H]2N)C1.Cl
InChIInChI=1S/C15H30N2.ClH/c1-2-6-13-7-5-10-17(11-13)12-14-8-3-4-9-15(14)16;/h13-15H,2-12,16H2,1H3;1H/t13?,14-,15+;/m0./s1
InChIKeyHXYPRCBAQHOILC-WDIUJWGESA-N
MW274.88 g/mol
LogP3.44
Rot. Bonds4

About cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride

cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride (PubChem CID 141194202) has the molecular formula C15H31ClN2 and a molecular weight of 274.88 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
PubChem CID141194202
Molecular FormulaC15H31ClN2
Molecular Weight274.88 g/mol
Exact Mass274.22
IUPAC Namecis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
SMILESCCCC1CCCN(C[C@@H]2CCCC[C@H]2N)C1.Cl
InChIInChI=1S/C15H30N2.ClH/c1-2-6-13-7-5-10-17(11-13)12-14-8-3-4-9-15(14)16;/h13-15H,2-12,16H2,1H3;1H/t13?,14-,15+;/m0./s1
InChIKeyHXYPRCBAQHOILC-WDIUJWGESA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.88
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 143571311
cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride
CID 69043221
tert-butyl N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]carbamate;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 158128680
4-ethyl-2-[(3-ethylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 62616464
1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane
CID 169242088
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
CID 64582780
1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine
CID 130874854
tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate
CID 143571188
[1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol
CID 112629055
2-[1-[[2-(propylamino)cyclohexyl]methyl]piperidin-3-yl]ethanol
CID 107228969
2-(azepan-1-ylmethyl)cycloheptan-1-amine
CID 62616403
2-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62615480

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride (CID 141194202) is cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride is CCCC1CCCN(C[C@@H]2CCCC[C@H]2N)C1.Cl.
What is the InChIKey of cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride?
The InChIKey is HXYPRCBAQHOILC-WDIUJWGESA-N. The full InChI is InChI=1S/C15H30N2.ClH/c1-2-6-13-7-5-10-17(11-13)12-14-8-3-4-9-15(14)16;/h13-15H,2-12,16H2,1H3;1H/t13?,14-,15+;/m0./s1.
What are the key properties of cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride?
cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride has a molecular weight of 274.88 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 141194202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).