4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol

C16H25NO — CID 103898354

IUPAC4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
SMILESCC(C)c1ccc(CN2CCC(C)C(O)C2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)15-6-4-14(5-7-15)10-17-9-8-13(3)16(18)11-17/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyIRJXHVMNLJWGCC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.01
Rot. Bonds3

About 4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol

4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol (PubChem CID 103898354) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
PubChem CID103898354
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
SMILESCC(C)c1ccc(CN2CCC(C)C(O)C2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)15-6-4-14(5-7-15)10-17-9-8-13(3)16(18)11-17/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyIRJXHVMNLJWGCC-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 102959361
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672877
1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898564
(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 95449204
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
CID 87886924
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 81457375
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512469
3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64831824
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol (CID 103898354) is 4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol is CC(C)c1ccc(CN2CCC(C)C(O)C2)cc1.
What is the InChIKey of 4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol?
The InChIKey is IRJXHVMNLJWGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)15-6-4-14(5-7-15)10-17-9-8-13(3)16(18)11-17/h4-7,12-13,16,18H,8-11H2,1-3H3.
What are the key properties of 4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol?
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol has a molecular weight of 247.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 103898354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).