[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol

C14H22N2O — CID 117012107

IUPAC[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol
SMILESCc1cccc(N2CCC(N)(CO)CC2)c1C
InChIInChI=1S/C14H22N2O/c1-11-4-3-5-13(12(11)2)16-8-6-14(15,10-17)7-9-16/h3-5,17H,6-10,15H2,1-2H3
InChIKeyKLOLUULQDUMDSA-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.59
Rot. Bonds2

About [4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol

[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol (PubChem CID 117012107) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol
PubChem CID117012107
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol
SMILESCc1cccc(N2CCC(N)(CO)CC2)c1C
InChIInChI=1S/C14H22N2O/c1-11-4-3-5-13(12(11)2)16-8-6-14(15,10-17)7-9-16/h3-5,17H,6-10,15H2,1-2H3
InChIKeyKLOLUULQDUMDSA-UHFFFAOYSA-N
XLogP1.59
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-amino-1-(3,4-dimethylphenyl)piperidin-4-yl]methanol
CID 117012104
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol
CID 115025843
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
[3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol
CID 117012529
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 109011710
[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 43132916
2-(2-aminoethoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 79463430
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
CID 142710465
1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 43245851

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol?
The IUPAC name of [4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol (CID 117012107) is [4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol is Cc1cccc(N2CCC(N)(CO)CC2)c1C.
What is the InChIKey of [4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol?
The InChIKey is KLOLUULQDUMDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-3-5-13(12(11)2)16-8-6-14(15,10-17)7-9-16/h3-5,17H,6-10,15H2,1-2H3.
What are the key properties of [4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol?
[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 117012107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).