[4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol

C14H22N2O — CID 117012093

IUPAC[4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol
SMILESCc1ccc(CN2CCC(N)(CO)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-12-2-4-13(5-3-12)10-16-8-6-14(15,11-17)7-9-16/h2-5,17H,6-11,15H2,1H3
InChIKeyOAGZEWFLCYNRCQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.28
Rot. Bonds3

About [4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol

[4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol (PubChem CID 117012093) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol
PubChem CID117012093
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol
SMILESCc1ccc(CN2CCC(N)(CO)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-12-2-4-13(5-3-12)10-16-8-6-14(15,11-17)7-9-16/h2-5,17H,6-11,15H2,1H3
InChIKeyOAGZEWFLCYNRCQ-UHFFFAOYSA-N
XLogP1.28
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
3-[(4-fluorophenyl)methyl]-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370656
1-[(4-methylphenyl)methyl]azepane
CID 3951815
2-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97449602
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
[4-amino-1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 117012092
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
1-benzyl-4-(2-methoxyethyl)piperidin-4-amine
CID 83912968
2-chloro-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297280
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 42624389

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol (CID 117012093) is [4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol is Cc1ccc(CN2CCC(N)(CO)CC2)cc1.
What is the InChIKey of [4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is OAGZEWFLCYNRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-2-4-13(5-3-12)10-16-8-6-14(15,11-17)7-9-16/h2-5,17H,6-11,15H2,1H3.
What are the key properties of [4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol?
[4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 117012093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).