3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol

C26H28ClNO2 — CID 45102009

IUPAC3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol
SMILESCOc1ccc2cc(C(O)CCN3CC=C(Cc4ccccc4)CC3)ccc2c1Cl
InChIInChI=1S/C26H28ClNO2/c1-30-25-10-8-21-18-22(7-9-23(21)26(25)27)24(29)13-16-28-14-11-20(12-15-28)17-19-5-3-2-4-6-19/h2-11,18,24,29H,12-17H2,1H3
InChIKeyJYIMWQCCVNSNJW-UHFFFAOYSA-N
MW421.97 g/mol
LogP5.80
Rot. Bonds7

About 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol

3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol (PubChem CID 45102009) has the molecular formula C26H28ClNO2 and a molecular weight of 421.97 g/mol. Its IUPAC name is 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol
PubChem CID45102009
Molecular FormulaC26H28ClNO2
Molecular Weight421.97 g/mol
Exact Mass421.18
IUPAC Name3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol
SMILESCOc1ccc2cc(C(O)CCN3CC=C(Cc4ccccc4)CC3)ccc2c1Cl
InChIInChI=1S/C26H28ClNO2/c1-30-25-10-8-21-18-22(7-9-23(21)26(25)27)24(29)13-16-28-14-11-20(12-15-28)17-19-5-3-2-4-6-19/h2-11,18,24,29H,12-17H2,1H3
InChIKeyJYIMWQCCVNSNJW-UHFFFAOYSA-N
XLogP5.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Benzyl-1-[3-(5-chloro-6-methoxynaphthalen-2-yl)-3-hydroxypropyl]piperidin-4-ol
CID 45101948
3-(5-chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 54767906
(1R,2S)-2-(4-benzylpiperazin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol
CID 16111636
(1S,2S)-2-(4-benzylpiperazin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol
CID 16124549
(1R,2R)-2-(4-benzylpiperazin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol
CID 16124550
(1S,2R)-2-(4-benzylpiperazin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol
CID 16124551
4-benzyl-1-[(1S,2S)-1-(5-chloro-6-methoxynaphthalen-2-yl)-1-hydroxypropan-2-yl]piperidin-4-ol
CID 66572506
N-benzyl-3-(5-chloro-6-methoxynaphthalen-2-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765849
1-(2,7-Dichloro-10-methoxyphenanthren-9-yl)-2-(diheptylamino)ethanol
CID 430110
2-(Dibutylamino)-1-(2,7-dichloro-10-methoxyphenanthren-9-yl)ethanol
CID 430111
1-[6-Chloro-3-(3,4-dichlorophenyl)-7-methoxynaphthalen-1-yl]-2-piperidin-2-ylethanol
CID 9847300
1-[6-Chloro-3-(4-chlorophenyl)-7-methoxynaphthalen-1-yl]-2-piperidin-2-ylethanol
CID 9932403

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol?
The IUPAC name of 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol (CID 45102009) is 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol?
The canonical SMILES for 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol is COc1ccc2cc(C(O)CCN3CC=C(Cc4ccccc4)CC3)ccc2c1Cl.
What is the InChIKey of 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol?
The InChIKey is JYIMWQCCVNSNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClNO2/c1-30-25-10-8-21-18-22(7-9-23(21)26(25)27)24(29)13-16-28-14-11-20(12-15-28)17-19-5-3-2-4-6-19/h2-11,18,24,29H,12-17H2,1H3.
What are the key properties of 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol?
3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol has a molecular weight of 421.97 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 45102009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).