2-benzyl-2-methylpiperidin-3-ol;hydrochloride

C13H20ClNO — CID 115044516

IUPAC2-benzyl-2-methylpiperidin-3-ol;hydrochloride
SMILESCC1(Cc2ccccc2)NCCCC1O.Cl
InChIInChI=1S/C13H19NO.ClH/c1-13(12(15)8-5-9-14-13)10-11-6-3-2-4-7-11;/h2-4,6-7,12,14-15H,5,8-10H2,1H3;1H
InChIKeyYDTULMVRYKDMPW-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.15
Rot. Bonds2

About 2-benzyl-2-methylpiperidin-3-ol;hydrochloride

2-benzyl-2-methylpiperidin-3-ol;hydrochloride (PubChem CID 115044516) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-benzyl-2-methylpiperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name2-benzyl-2-methylpiperidin-3-ol;hydrochloride
PubChem CID115044516
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-benzyl-2-methylpiperidin-3-ol;hydrochloride
SMILESCC1(Cc2ccccc2)NCCCC1O.Cl
InChIInChI=1S/C13H19NO.ClH/c1-13(12(15)8-5-9-14-13)10-11-6-3-2-4-7-11;/h2-4,6-7,12,14-15H,5,8-10H2,1H3;1H
InChIKeyYDTULMVRYKDMPW-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115036439
2-methyl-2-(2-phenylethyl)piperidin-4-ol
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CID 124511321
(2-benzylpyrrolidin-2-yl)-phenylmethanone
CID 594890
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4-benzyl-4-fluoropiperidine;ethane
CID 154662481
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2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride
CID 174869430
ethyl 2-benzylpyrrolidine-2-carboxylate
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CID 68554662

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-methylpiperidin-3-ol;hydrochloride?
The IUPAC name of 2-benzyl-2-methylpiperidin-3-ol;hydrochloride (CID 115044516) is 2-benzyl-2-methylpiperidin-3-ol;hydrochloride.
What is the SMILES notation for 2-benzyl-2-methylpiperidin-3-ol;hydrochloride?
The canonical SMILES for 2-benzyl-2-methylpiperidin-3-ol;hydrochloride is CC1(Cc2ccccc2)NCCCC1O.Cl.
What is the InChIKey of 2-benzyl-2-methylpiperidin-3-ol;hydrochloride?
The InChIKey is YDTULMVRYKDMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-13(12(15)8-5-9-14-13)10-11-6-3-2-4-7-11;/h2-4,6-7,12,14-15H,5,8-10H2,1H3;1H.
What are the key properties of 2-benzyl-2-methylpiperidin-3-ol;hydrochloride?
2-benzyl-2-methylpiperidin-3-ol;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-methylpiperidin-3-ol;hydrochloride is sourced from PubChem (CID 115044516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).