(2S)-2-propylpiperidin-1-ium chloride

C8H18ClN — CID 11105689

IUPAC(2S)-2-propylpiperidin-1-ium chloride
SMILESCCC[C@H]1CCCC[NH2+]1.[Cl-]
InChIInChI=1S/C8H17N.ClH/c1-2-5-8-6-3-4-7-9-8;/h8-9H,2-7H2,1H3;1H/t8-;/m0./s1
InChIKeyJXBWZNQZRWZJIR-QRPNPIFTSA-N
MW163.69 g/mol
LogP-2.09
Rot. Bonds2

About (2S)-2-propylpiperidin-1-ium chloride

(2S)-2-propylpiperidin-1-ium chloride (PubChem CID 11105689) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is (2S)-2-propylpiperidin-1-ium chloride.

Molecular Properties

Compound Name(2S)-2-propylpiperidin-1-ium chloride
PubChem CID11105689
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name(2S)-2-propylpiperidin-1-ium chloride
SMILESCCC[C@H]1CCCC[NH2+]1.[Cl-]
InChIInChI=1S/C8H17N.ClH/c1-2-5-8-6-3-4-7-9-8;/h8-9H,2-7H2,1H3;1H/t8-;/m0./s1
InChIKeyJXBWZNQZRWZJIR-QRPNPIFTSA-N
XLogP-2.09
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 5-2.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-2-propylpyrrolidin-1-ium
CID 7141585
2-butylpyrrolidin-1-ium
CID 78439449
(2S)-2-(methoxymethyl)piperidin-1-ium
CID 7022855
(2R)-2-(2,2-dimethylpropyl)piperidin-1-ium
CID 7048062
(2R,6S)-2-methyl-6-propylpiperidin-1-ium chloride
CID 11126820
2-propylazepan-1-ium-4-one
CID 170528966
(3S,6S)-6-propylpiperidin-1-ium-3-ol chloride
CID 11126847
4-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]morpholin-4-ium
CID 7061643
(2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium
CID 7141710
(2S)-2-(cyclohexylmethyl)pyrrolidin-1-ium
CID 51396945
2-[(2S)-piperidin-1-ium-2-yl]acetamide
CID 7298460
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114

Frequently Asked Questions

What is the IUPAC name of (2S)-2-propylpiperidin-1-ium chloride?
The IUPAC name of (2S)-2-propylpiperidin-1-ium chloride (CID 11105689) is (2S)-2-propylpiperidin-1-ium chloride.
What is the SMILES notation for (2S)-2-propylpiperidin-1-ium chloride?
The canonical SMILES for (2S)-2-propylpiperidin-1-ium chloride is CCC[C@H]1CCCC[NH2+]1.[Cl-].
What is the InChIKey of (2S)-2-propylpiperidin-1-ium chloride?
The InChIKey is JXBWZNQZRWZJIR-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H17N.ClH/c1-2-5-8-6-3-4-7-9-8;/h8-9H,2-7H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-2-propylpiperidin-1-ium chloride?
(2S)-2-propylpiperidin-1-ium chloride has a molecular weight of 163.69 g/mol, XLogP of -2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propylpiperidin-1-ium chloride is sourced from PubChem (CID 11105689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).