3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol

C21H24ClNO — CID 57138729

IUPAC3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol
SMILESCC(CO)C(c1ccccc1)N1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClNO/c1-16(15-24)21(19-5-3-2-4-6-19)23-13-11-18(12-14-23)17-7-9-20(22)10-8-17/h2-11,16,21,24H,12-15H2,1H3
InChIKeyWYKYBFAEQQNWKI-UHFFFAOYSA-N
MW341.88 g/mol
LogP4.80
Rot. Bonds5

About 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol

3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol (PubChem CID 57138729) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol
PubChem CID57138729
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC Name3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol
SMILESCC(CO)C(c1ccccc1)N1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClNO/c1-16(15-24)21(19-5-3-2-4-6-19)23-13-11-18(12-14-23)17-7-9-20(22)10-8-17/h2-11,16,21,24H,12-15H2,1H3
InChIKeyWYKYBFAEQQNWKI-UHFFFAOYSA-N
XLogP4.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol with MolForge

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Related Compounds

[(3R,4S)-4-(4-Chlorophenyl)-1-methylpiperidin-3-YL]methanol
CID 10657648
4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol
CID 3419898
(+/-)-threo-N-Benzyl-3'',4''-dichlororitalinol
CID 52945159
[(R)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-methanol
CID 44301837
8-(Bis(2-chlorophenyl)methyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 44593575
2-[Benzyl(4-chlorobenzyl)amino]ethanol
CID 783223
2-[4-(4-Chloro-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925764
2-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-cyclohexanol
CID 15925812
[1-(4-Chlorobenzyl)-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23723640
(+/-)-threo-N-3-Chlorobenzylmethylphenidate
CID 52942178
(+/-)-threo-N-Benzyl-3'',4''-dichlororitalinol methylether
CID 52949474
[4-(4-Chlorobenzyl)-1-(2-fluorobenzyl)-4-piperidinyl]methanol
CID 16188990

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol?
The IUPAC name of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol (CID 57138729) is 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol?
The canonical SMILES for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol is CC(CO)C(c1ccccc1)N1CC=C(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol?
The InChIKey is WYKYBFAEQQNWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO/c1-16(15-24)21(19-5-3-2-4-6-19)23-13-11-18(12-14-23)17-7-9-20(22)10-8-17/h2-11,16,21,24H,12-15H2,1H3.
What are the key properties of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol?
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol has a molecular weight of 341.88 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-phenylpropan-1-ol is sourced from PubChem (CID 57138729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).