1-benzyl-4-(2-methylpropyl)piperidin-4-ol

C16H25NO — CID 83693176

IUPAC1-benzyl-4-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)CC1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-14(2)12-16(18)8-10-17(11-9-16)13-15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3
InChIKeyYJKLXRINKBUIKD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.06
Rot. Bonds4

About 1-benzyl-4-(2-methylpropyl)piperidin-4-ol

1-benzyl-4-(2-methylpropyl)piperidin-4-ol (PubChem CID 83693176) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-benzyl-4-(2-methylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-(2-methylpropyl)piperidin-4-ol
PubChem CID83693176
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-benzyl-4-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)CC1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-14(2)12-16(18)8-10-17(11-9-16)13-15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3
InChIKeyYJKLXRINKBUIKD-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide
CID 67119844
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
[1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine
CID 83825251
[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol
CID 61056770
1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol
CID 22961021
benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
CID 134164536
4-[1-(1-benzyl-4-hydroxypiperidin-4-yl)ethyl]benzoic acid
CID 68967376
1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol
CID 142015465

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-methylpropyl)piperidin-4-ol?
The IUPAC name of 1-benzyl-4-(2-methylpropyl)piperidin-4-ol (CID 83693176) is 1-benzyl-4-(2-methylpropyl)piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-(2-methylpropyl)piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-(2-methylpropyl)piperidin-4-ol is CC(C)CC1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2-methylpropyl)piperidin-4-ol?
The InChIKey is YJKLXRINKBUIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(2)12-16(18)8-10-17(11-9-16)13-15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3.
What are the key properties of 1-benzyl-4-(2-methylpropyl)piperidin-4-ol?
1-benzyl-4-(2-methylpropyl)piperidin-4-ol has a molecular weight of 247.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-methylpropyl)piperidin-4-ol is sourced from PubChem (CID 83693176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).