1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol

C16H26N2O — CID 45247214

IUPAC1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol
SMILESCc1cccc(C(CN2CCCC(O)C2)N(C)C)c1
InChIInChI=1S/C16H26N2O/c1-13-6-4-7-14(10-13)16(17(2)3)12-18-9-5-8-15(19)11-18/h4,6-7,10,15-16,19H,5,8-9,11-12H2,1-3H3
InChIKeyKZAGHPMUGWLJSY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.05
Rot. Bonds4

About 1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol

1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol (PubChem CID 45247214) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol
PubChem CID45247214
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol
SMILESCc1cccc(C(CN2CCCC(O)C2)N(C)C)c1
InChIInChI=1S/C16H26N2O/c1-13-6-4-7-14(10-13)16(17(2)3)12-18-9-5-8-15(19)11-18/h4,6-7,10,15-16,19H,5,8-9,11-12H2,1-3H3
InChIKeyKZAGHPMUGWLJSY-UHFFFAOYSA-N
XLogP2.05
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol
CID 62623074
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol
CID 62941921
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 63149736
1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol
CID 62619132
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
(2-chlorobenzoyl)azanide;(3S)-1-[(2S)-2-(dimethylamino)-2-phenylethyl]pyrrolidin-3-ol;praseodymium
CID 160869676
azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
CID 19746392
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 62618608
1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 55098461
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 97153883

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol?
The IUPAC name of 1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol (CID 45247214) is 1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol?
The canonical SMILES for 1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol is Cc1cccc(C(CN2CCCC(O)C2)N(C)C)c1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol?
The InChIKey is KZAGHPMUGWLJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-4-7-14(10-13)16(17(2)3)12-18-9-5-8-15(19)11-18/h4,6-7,10,15-16,19H,5,8-9,11-12H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol?
1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol has a molecular weight of 262.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol is sourced from PubChem (CID 45247214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).