1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol

C20H26N2O — CID 165424779

IUPAC1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol
SMILESCN(C)c1ccc(-c2ccc(CN3CCCC(O)C3)cc2)cc1
InChIInChI=1S/C20H26N2O/c1-21(2)19-11-9-18(10-12-19)17-7-5-16(6-8-17)14-22-13-3-4-20(23)15-22/h5-12,20,23H,3-4,13-15H2,1-2H3
InChIKeySRCXPVCIXWAEKC-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.38
Rot. Bonds4

About 1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol

1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol (PubChem CID 165424779) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol
PubChem CID165424779
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol
SMILESCN(C)c1ccc(-c2ccc(CN3CCCC(O)C3)cc2)cc1
InChIInChI=1S/C20H26N2O/c1-21(2)19-11-9-18(10-12-19)17-7-5-16(6-8-17)14-22-13-3-4-20(23)15-22/h5-12,20,23H,3-4,13-15H2,1-2H3
InChIKeySRCXPVCIXWAEKC-UHFFFAOYSA-N
XLogP3.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 145119279
(3R)-1-[[4-(dimethylamino)phenyl]methyl]piperidine-3-carboxamide
CID 26458213
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-yl]acetic acid
CID 65059942
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine
CID 94339766
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarbothioamide
CID 61434501
(3R)-1-benzylazepan-3-ol
CID 124585423
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol
CID 115903800
(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol
CID 764103

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol (CID 165424779) is 1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol is CN(C)c1ccc(-c2ccc(CN3CCCC(O)C3)cc2)cc1.
What is the InChIKey of 1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol?
The InChIKey is SRCXPVCIXWAEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-21(2)19-11-9-18(10-12-19)17-7-5-16(6-8-17)14-22-13-3-4-20(23)15-22/h5-12,20,23H,3-4,13-15H2,1-2H3.
What are the key properties of 1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol?
1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol has a molecular weight of 310.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 165424779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).