(6S)-2-methyl-6-propylpiperidine;hydrochloride

C9H20ClN — CID 70018232

IUPAC(6S)-2-methyl-6-propylpiperidine;hydrochloride
SMILESCCC[C@H]1CCCC(C)N1.Cl
InChIInChI=1S/C9H19N.ClH/c1-3-5-9-7-4-6-8(2)10-9;/h8-10H,3-7H2,1-2H3;1H/t8?,9-;/m0./s1
InChIKeySXROKZGSWIUYCJ-MTFPJWTKSA-N
MW177.72 g/mol
LogP2.74
Rot. Bonds2

About (6S)-2-methyl-6-propylpiperidine;hydrochloride

(6S)-2-methyl-6-propylpiperidine;hydrochloride (PubChem CID 70018232) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is (6S)-2-methyl-6-propylpiperidine;hydrochloride.

Molecular Properties

Compound Name(6S)-2-methyl-6-propylpiperidine;hydrochloride
PubChem CID70018232
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name(6S)-2-methyl-6-propylpiperidine;hydrochloride
SMILESCCC[C@H]1CCCC(C)N1.Cl
InChIInChI=1S/C9H19N.ClH/c1-3-5-9-7-4-6-8(2)10-9;/h8-10H,3-7H2,1-2H3;1H/t8?,9-;/m0./s1
InChIKeySXROKZGSWIUYCJ-MTFPJWTKSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylpiperidine
CID 7974
(+)-Coniine
CID 441072
2-Propylpiperidine
CID 9985
Nanofin
CID 68843
cis-Nanophine hydrochloride
CID 6420071
rel-(2R,6S)-2,6-Dimethylpiperidine
CID 641768
2-Ethylpiperidine
CID 94205
2,6-Dimethylpiperidine hydrochloride
CID 199821
Coniine Hydrochloride
CID 12303861
(S)-(+)-2-Methylpiperidine
CID 6427443
(2R)-2-Propylpiperidine
CID 638021
N-ethylcyclohexanamine hydrochloride
CID 162937

Frequently Asked Questions

What is the IUPAC name of (6S)-2-methyl-6-propylpiperidine;hydrochloride?
The IUPAC name of (6S)-2-methyl-6-propylpiperidine;hydrochloride (CID 70018232) is (6S)-2-methyl-6-propylpiperidine;hydrochloride.
What is the SMILES notation for (6S)-2-methyl-6-propylpiperidine;hydrochloride?
The canonical SMILES for (6S)-2-methyl-6-propylpiperidine;hydrochloride is CCC[C@H]1CCCC(C)N1.Cl.
What is the InChIKey of (6S)-2-methyl-6-propylpiperidine;hydrochloride?
The InChIKey is SXROKZGSWIUYCJ-MTFPJWTKSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-3-5-9-7-4-6-8(2)10-9;/h8-10H,3-7H2,1-2H3;1H/t8?,9-;/m0./s1.
What are the key properties of (6S)-2-methyl-6-propylpiperidine;hydrochloride?
(6S)-2-methyl-6-propylpiperidine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methyl-6-propylpiperidine;hydrochloride is sourced from PubChem (CID 70018232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).