4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol

C23H30N2O2 — CID 66783456

IUPAC4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol
SMILESOC1(CNC2CCC2)CCN(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C23H30N2O2/c26-23(18-24-20-7-4-8-20)13-15-25(16-14-23)21-9-11-22(12-10-21)27-17-19-5-2-1-3-6-19/h1-3,5-6,9-12,20,24,26H,4,7-8,13-18H2
InChIKeyKUXZVMXRUJERHT-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.74
Rot. Bonds7

About 4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol

4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol (PubChem CID 66783456) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol
PubChem CID66783456
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol
SMILESOC1(CNC2CCC2)CCN(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C23H30N2O2/c26-23(18-24-20-7-4-8-20)13-15-25(16-14-23)21-9-11-22(12-10-21)27-17-19-5-2-1-3-6-19/h1-3,5-6,9-12,20,24,26H,4,7-8,13-18H2
InChIKeyKUXZVMXRUJERHT-UHFFFAOYSA-N
XLogP3.74
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[[(1-phenylpiperidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103783455
N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 21260549
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111438140
N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide
CID 138534083
N-(2-phenylethyl)-1-(4-phenylmethoxyphenyl)-N-[1-(4-phenylmethoxyphenyl)piperidin-4-yl]piperidin-4-amine
CID 70224263
1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol
CID 65105573
4-benzyl-1-phenylpiperidin-4-ol
CID 106820760
N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine
CID 171349576
3-oxo-9-(4-phenylmethoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid
CID 66784678
2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
CID 58117978

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol?
The IUPAC name of 4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol (CID 66783456) is 4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol?
The canonical SMILES for 4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol is OC1(CNC2CCC2)CCN(c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol?
The InChIKey is KUXZVMXRUJERHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-23(18-24-20-7-4-8-20)13-15-25(16-14-23)21-9-11-22(12-10-21)27-17-19-5-2-1-3-6-19/h1-3,5-6,9-12,20,24,26H,4,7-8,13-18H2.
What are the key properties of 4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol?
4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol has a molecular weight of 366.51 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 66783456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).