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

C21H27ClN2O2 — CID 95871785

IUPAC(3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
SMILESCN(C)C[C@]1(O)CCCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H27ClN2O2/c1-23(2)15-21(25)12-3-13-24(16-21)14-17-4-8-19(9-5-17)26-20-10-6-18(22)7-11-20/h4-11,25H,3,12-16H2,1-2H3/t21-/m1/s1
InChIKeyBVDQINYHKLAEJD-OAQYLSRUSA-N
MW374.91 g/mol
LogP4.02
Rot. Bonds6

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

(3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol (PubChem CID 95871785) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is (3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
PubChem CID95871785
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name(3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
SMILESCN(C)C[C@]1(O)CCCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H27ClN2O2/c1-23(2)15-21(25)12-3-13-24(16-21)14-17-4-8-19(9-5-17)26-20-10-6-18(22)7-11-20/h4-11,25H,3,12-16H2,1-2H3/t21-/m1/s1
InChIKeyBVDQINYHKLAEJD-OAQYLSRUSA-N
XLogP4.02
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol with MolForge

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Related Compounds

1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 56916014
(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol
CID 95889308
(3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol
CID 95882427
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone
CID 172661402
3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-ol
CID 155992351
2-[[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]benzoic acid
CID 77081860
1-[4-[[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 99932555
1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 131943086
1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56884401
(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 95897724
[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25305426
(3R)-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 95872677

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol (CID 95871785) is (3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol is CN(C)C[C@]1(O)CCCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of (3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
The InChIKey is BVDQINYHKLAEJD-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-23(2)15-21(25)12-3-13-24(16-21)14-17-4-8-19(9-5-17)26-20-10-6-18(22)7-11-20/h4-11,25H,3,12-16H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
(3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol has a molecular weight of 374.91 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol is sourced from PubChem (CID 95871785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).