4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol

C16H25NO2 — CID 110931575

IUPAC4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C16H25NO2/c18-13-5-4-10-17-11-8-15(9-12-17)16(19)14-6-2-1-3-7-14/h1-3,6-7,15-16,18-19H,4-5,8-13H2
InChIKeyZYYDTILEPDEASR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.20
Rot. Bonds6

About 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol

4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol (PubChem CID 110931575) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
PubChem CID110931575
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C16H25NO2/c18-13-5-4-10-17-11-8-15(9-12-17)16(19)14-6-2-1-3-7-14/h1-3,6-7,15-16,18-19H,4-5,8-13H2
InChIKeyZYYDTILEPDEASR-UHFFFAOYSA-N
XLogP2.20
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide
CID 111022318
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
CID 110908629
cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol
CID 144757762
phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
CID 110884402
tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 110903431
4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630

Frequently Asked Questions

What is the IUPAC name of 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol (CID 110931575) is 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol is OCCCCN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol?
The InChIKey is ZYYDTILEPDEASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c18-13-5-4-10-17-11-8-15(9-12-17)16(19)14-6-2-1-3-7-14/h1-3,6-7,15-16,18-19H,4-5,8-13H2.
What are the key properties of 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol?
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 110931575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).