(2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride

C9H20ClN — CID 11126820

IUPAC(2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride
SMILESCCC[C@H]1CCC[C@@H](C)[NH2+]1.[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+;/m1./s1
InChIKeySXROKZGSWIUYCJ-RJUBDTSPSA-N
MW177.72 g/mol
LogP-1.71
Rot. Bonds2

About (2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride

(2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride (PubChem CID 11126820) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is (2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride.

Molecular Properties

Compound Name(2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride
PubChem CID11126820
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name(2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride
SMILESCCC[C@H]1CCC[C@@H](C)[NH2+]1.[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+;/m1./s1
InChIKeySXROKZGSWIUYCJ-RJUBDTSPSA-N
XLogP-1.71
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(2S,6S)-2,6-dimethylpiperidin-1-ium
CID 6560360
(2S)-2-propylpyrrolidin-1-ium
CID 7141585
(2S)-2-propylpiperidin-1-ium chloride
CID 11105689
(2R,6R)-2-butyl-6-(2-methylphenyl)piperidin-1-ium chloride
CID 10683293
4-methyl-2'-propylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]
CID 123735498
1-methyl-4-propylcycloheptane
CID 90967653
trans-(2S,6S)-2,6-dipropylcyclohexan-1-one
CID 12712312
1-methyl-5-propylcyclononane
CID 54361658
(7R)-7-methyl-2-propylspiro[3.4]octane
CID 167622159
ethane;(3S)-3-propylspiro[4.4]nonane
CID 177054830
(3S,6S)-6-propylpiperidin-1-ium-3-ol chloride
CID 11126847
butyl (2S,6R)-6-methylpiperidin-1-ium-2-carboxylate
CID 7047097

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride?
The IUPAC name of (2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride (CID 11126820) is (2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride.
What is the SMILES notation for (2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride?
The canonical SMILES for (2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride is CCC[C@H]1CCC[C@@H](C)[NH2+]1.[Cl-].
What is the InChIKey of (2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride?
The InChIKey is SXROKZGSWIUYCJ-RJUBDTSPSA-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+;/m1./s1.
What are the key properties of (2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride?
(2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride has a molecular weight of 177.72 g/mol, XLogP of -1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride is sourced from PubChem (CID 11126820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).