4-(1-benzylpiperidin-2-yl)butan-2-ol

C16H25NO — CID 83982325

IUPAC4-(1-benzylpiperidin-2-yl)butan-2-ol
SMILESCC(O)CCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-14(18)10-11-16-9-5-6-12-17(16)13-15-7-3-2-4-8-15/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3
InChIKeyKTVMIVXFDRWDMG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.20
Rot. Bonds5

About 4-(1-benzylpiperidin-2-yl)butan-2-ol

4-(1-benzylpiperidin-2-yl)butan-2-ol (PubChem CID 83982325) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(1-benzylpiperidin-2-yl)butan-2-ol
PubChem CID83982325
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(1-benzylpiperidin-2-yl)butan-2-ol
SMILESCC(O)CCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-14(18)10-11-16-9-5-6-12-17(16)13-15-7-3-2-4-8-15/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3
InChIKeyKTVMIVXFDRWDMG-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
CID 83982303
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
1-benzyl-2-(3-iodopropyl)piperidine
CID 71648959
3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-2-yl)butan-2-ol?
The IUPAC name of 4-(1-benzylpiperidin-2-yl)butan-2-ol (CID 83982325) is 4-(1-benzylpiperidin-2-yl)butan-2-ol.
What is the SMILES notation for 4-(1-benzylpiperidin-2-yl)butan-2-ol?
The canonical SMILES for 4-(1-benzylpiperidin-2-yl)butan-2-ol is CC(O)CCC1CCCCN1Cc1ccccc1.
What is the InChIKey of 4-(1-benzylpiperidin-2-yl)butan-2-ol?
The InChIKey is KTVMIVXFDRWDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(18)10-11-16-9-5-6-12-17(16)13-15-7-3-2-4-8-15/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3.
What are the key properties of 4-(1-benzylpiperidin-2-yl)butan-2-ol?
4-(1-benzylpiperidin-2-yl)butan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-2-yl)butan-2-ol is sourced from PubChem (CID 83982325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).