2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol

C20H26N2O — CID 111457377

IUPAC2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol
SMILESCc1cccc(NC2CCN(CC(O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N2O/c1-16-6-5-9-19(14-16)21-18-10-12-22(13-11-18)15-20(23)17-7-3-2-4-8-17/h2-9,14,18,20-21,23H,10-13,15H2,1H3
InChIKeyWLMWCVCUWHYPBB-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.60
Rot. Bonds5

About 2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol

2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol (PubChem CID 111457377) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol
PubChem CID111457377
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol
SMILESCc1cccc(NC2CCN(CC(O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N2O/c1-16-6-5-9-19(14-16)21-18-10-12-22(13-11-18)15-20(23)17-7-3-2-4-8-17/h2-9,14,18,20-21,23H,10-13,15H2,1H3
InChIKeyWLMWCVCUWHYPBB-UHFFFAOYSA-N
XLogP3.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol
CID 56771251
4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol
CID 111457378
N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755634
N-(3-methylphenyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211943
(2S)-2-[4-(3-methylanilino)piperidin-1-yl]butanoic acid
CID 129401602
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281
(2R)-1-[4-(3-methylanilino)piperidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 97072323
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
CID 4035657
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol (CID 111457377) is 2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol is Cc1cccc(NC2CCN(CC(O)c3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol?
The InChIKey is WLMWCVCUWHYPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16-6-5-9-19(14-16)21-18-10-12-22(13-11-18)15-20(23)17-7-3-2-4-8-17/h2-9,14,18,20-21,23H,10-13,15H2,1H3.
What are the key properties of 2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol?
2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol has a molecular weight of 310.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 111457377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).