[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride

C13H21ClN2O — CID 170916888

IUPAC[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
SMILESCl.Nc1ccc(CN2CCC(CO)CC2)cc1
InChIInChI=1S/C13H20N2O.ClH/c14-13-3-1-11(2-4-13)9-15-7-5-12(10-16)6-8-15;/h1-4,12,16H,5-10,14H2;1H
InChIKeyODYOWWMXQNLYSD-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.89
Rot. Bonds3

About [1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride

[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride (PubChem CID 170916888) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is [1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
PubChem CID170916888
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
SMILESCl.Nc1ccc(CN2CCC(CO)CC2)cc1
InChIInChI=1S/C13H20N2O.ClH/c14-13-3-1-11(2-4-13)9-15-7-5-12(10-16)6-8-15;/h1-4,12,16H,5-10,14H2;1H
InChIKeyODYOWWMXQNLYSD-UHFFFAOYSA-N
XLogP1.89
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarbothioamide
CID 43246141
4-[(4-fluoropiperidin-1-yl)methyl]aniline
CID 68980822
[1-[(6-amino-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 62176467
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351597
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43246163
1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene
CID 174445442
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
CID 122463493
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434309
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299

Frequently Asked Questions

What is the IUPAC name of [1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride?
The IUPAC name of [1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride (CID 170916888) is [1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride.
What is the SMILES notation for [1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride?
The canonical SMILES for [1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride is Cl.Nc1ccc(CN2CCC(CO)CC2)cc1.
What is the InChIKey of [1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride?
The InChIKey is ODYOWWMXQNLYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c14-13-3-1-11(2-4-13)9-15-7-5-12(10-16)6-8-15;/h1-4,12,16H,5-10,14H2;1H.
What are the key properties of [1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride?
[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride is sourced from PubChem (CID 170916888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).