(1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium

C18H32N2O+2 — CID 7100266

IUPAC(1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium
SMILESCCCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-2-3-9-18(21)14-19-17-10-12-20(13-11-17)15-16-7-5-4-6-8-16/h4-8,17-19,21H,2-3,9-15H2,1H3/p+2/t18-/m1/s1
InChIKeyRWHFAMLHBCFRGK-GOSISDBHSA-P
MW292.47 g/mol
LogP0.35
Rot. Bonds8

About (1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium

(1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium (PubChem CID 7100266) has the molecular formula C18H32N2O+2 and a molecular weight of 292.47 g/mol. Its IUPAC name is (1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium.

Molecular Properties

Compound Name(1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium
PubChem CID7100266
Molecular FormulaC18H32N2O+2
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name(1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium
SMILESCCCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-2-3-9-18(21)14-19-17-10-12-20(13-11-17)15-16-7-5-4-6-8-16/h4-8,17-19,21H,2-3,9-15H2,1H3/p+2/t18-/m1/s1
InChIKeyRWHFAMLHBCFRGK-GOSISDBHSA-P
XLogP0.35
TPSA41.28 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]azanium
CID 2561565
(1-benzylpiperidin-1-ium-4-yl)-[(3S)-3,7-dimethyloct-6-enyl]azanium
CID 7999489
[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]azanium
CID 2561378
(1-benzylpiperidin-1-ium-4-yl)-[3-(cyclohexylmethoxy)-2-hydroxypropyl]azanium;bis((E)-4-hydroxy-4-oxobut-2-enoate)
CID 110182188
1-phenylheptan-3-ol
CID 10420110
(1-benzylpiperidin-1-ium-4-yl)-[(2-pyrrolidin-1-ylphenyl)methyl]azanium
CID 7778195
(1-benzylpiperidin-1-ium-4-yl)-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium
CID 7996862
(1-benzylpiperidin-1-ium-4-yl)-[(1R,3R)-3-methylcyclohexyl]azanium
CID 7446009
1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol
CID 4745977
(1-benzylpiperidin-1-ium-4-yl)-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]azanium
CID 18555393
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
dimethyl 2-(1-benzylpiperidin-1-ium-4-yl)propanedioate chloride
CID 11142400

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium?
The IUPAC name of (1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium (CID 7100266) is (1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium.
What is the SMILES notation for (1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium?
The canonical SMILES for (1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium is CCCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium?
The InChIKey is RWHFAMLHBCFRGK-GOSISDBHSA-P. The full InChI is InChI=1S/C18H30N2O/c1-2-3-9-18(21)14-19-17-10-12-20(13-11-17)15-16-7-5-4-6-8-16/h4-8,17-19,21H,2-3,9-15H2,1H3/p+2/t18-/m1/s1.
What are the key properties of (1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium?
(1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium has a molecular weight of 292.47 g/mol, XLogP of 0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium is sourced from PubChem (CID 7100266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).