[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol

C20H25ClN2O — CID 110905943

IUPAC[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccc(CNCc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C20H25ClN2O/c21-19-5-1-16(2-6-19)13-22-14-17-3-7-20(8-4-17)23-11-9-18(15-24)10-12-23/h1-8,18,22,24H,9-15H2
InChIKeyUZRKSQVFDWWHCE-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.84
Rot. Bonds6

About [1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol

[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol (PubChem CID 110905943) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is [1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
PubChem CID110905943
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccc(CNCc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C20H25ClN2O/c21-19-5-1-16(2-6-19)13-22-14-17-3-7-20(8-4-17)23-11-9-18(15-24)10-12-23/h1-8,18,22,24H,9-15H2
InChIKeyUZRKSQVFDWWHCE-UHFFFAOYSA-N
XLogP3.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol
CID 75405291
[1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 111436552
[1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 110905918
[1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 109479915
2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid
CID 82298626
[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol
CID 111466478
N-[(4-chlorophenyl)methyl]-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 110823411
N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]butane-1-sulfonamide
CID 56806564
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
[1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]piperidin-4-yl]methanol
CID 51119754

Frequently Asked Questions

What is the IUPAC name of [1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol (CID 110905943) is [1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol is OCC1CCN(c2ccc(CNCc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of [1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol?
The InChIKey is UZRKSQVFDWWHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c21-19-5-1-16(2-6-19)13-22-14-17-3-7-20(8-4-17)23-11-9-18(15-24)10-12-23/h1-8,18,22,24H,9-15H2.
What are the key properties of [1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol?
[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol has a molecular weight of 344.89 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 110905943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).