(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride

C14H22ClNO — CID 169435400

IUPAC(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride
SMILESCN1CCC(CO)(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-15-9-7-14(12-16,8-10-15)11-13-5-3-2-4-6-13;/h2-6,16H,7-12H2,1H3;1H
InChIKeySVNJLCNTYDGSDZ-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.36
Rot. Bonds3

About (4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride

(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride (PubChem CID 169435400) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is (4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride
PubChem CID169435400
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride
SMILESCN1CCC(CO)(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-15-9-7-14(12-16,8-10-15)11-13-5-3-2-4-6-13;/h2-6,16H,7-12H2,1H3;1H
InChIKeySVNJLCNTYDGSDZ-UHFFFAOYSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-methylpiperidin-4-amine
CID 39065776
2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 134435036
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
[4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 90336906
4-benzyl-4-(hydroxymethyl)cyclohexan-1-one
CID 21433535
[1-[(4-phenylphenyl)methyl]cyclopropyl]methanol
CID 116928854
[4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol
CID 120858035
N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane
CID 142327017
1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
[1-[(4-ethylphenyl)methyl]cyclopropyl]methanol
CID 66025212
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone
CID 25371442
2-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]ethanol
CID 58284059

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride?
The IUPAC name of (4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride (CID 169435400) is (4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride.
What is the SMILES notation for (4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride?
The canonical SMILES for (4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride is CN1CCC(CO)(Cc2ccccc2)CC1.Cl.
What is the InChIKey of (4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride?
The InChIKey is SVNJLCNTYDGSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-15-9-7-14(12-16,8-10-15)11-13-5-3-2-4-6-13;/h2-6,16H,7-12H2,1H3;1H.
What are the key properties of (4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride?
(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride is sourced from PubChem (CID 169435400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).