1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol

C21H27NO — CID 110538160

IUPAC1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
SMILESCCc1ccc(CC2CN(Cc3ccccc3)CCC2O)cc1
InChIInChI=1S/C21H27NO/c1-2-17-8-10-18(11-9-17)14-20-16-22(13-12-21(20)23)15-19-6-4-3-5-7-19/h3-11,20-21,23H,2,12-16H2,1H3
InChIKeyKKBBQEMVMLPPJN-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.67
Rot. Bonds5

About 1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol

1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol (PubChem CID 110538160) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
PubChem CID110538160
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
SMILESCCc1ccc(CC2CN(Cc3ccccc3)CCC2O)cc1
InChIInChI=1S/C21H27NO/c1-2-17-8-10-18(11-9-17)14-20-16-22(13-12-21(20)23)15-19-6-4-3-5-7-19/h3-11,20-21,23H,2,12-16H2,1H3
InChIKeyKKBBQEMVMLPPJN-UHFFFAOYSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 110533457
1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110535914
4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
CID 163328080
1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol
CID 110535833
(3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 155990749
1-benzyl-3-[[3,5-dichloro-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-ol
CID 110531194
[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114960117
3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 110540158
1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol
CID 110531863

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol (CID 110538160) is 1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol is CCc1ccc(CC2CN(Cc3ccccc3)CCC2O)cc1.
What is the InChIKey of 1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol?
The InChIKey is KKBBQEMVMLPPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-2-17-8-10-18(11-9-17)14-20-16-22(13-12-21(20)23)15-19-6-4-3-5-7-19/h3-11,20-21,23H,2,12-16H2,1H3.
What are the key properties of 1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol?
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol has a molecular weight of 309.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 110538160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).