3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride

C22H25ClN2 — CID 10089396

IUPAC3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
SMILESC1=C(c2ccccc2)CCN(CCCc2c[nH]c3ccccc23)C1.Cl
InChIInChI=1S/C22H24N2.ClH/c1-2-7-18(8-3-1)19-12-15-24(16-13-19)14-6-9-20-17-23-22-11-5-4-10-21(20)22;/h1-5,7-8,10-12,17,23H,6,9,13-16H2;1H
InChIKeyMRCDWFQDBPYEMK-UHFFFAOYSA-N
MW352.91 g/mol
LogP5.31
Rot. Bonds5

About 3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride

3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride (PubChem CID 10089396) has the molecular formula C22H25ClN2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride.

Molecular Properties

Compound Name3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
PubChem CID10089396
Molecular FormulaC22H25ClN2
Molecular Weight352.91 g/mol
Exact Mass352.17
IUPAC Name3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
SMILESC1=C(c2ccccc2)CCN(CCCc2c[nH]c3ccccc23)C1.Cl
InChIInChI=1S/C22H24N2.ClH/c1-2-7-18(8-3-1)19-12-15-24(16-13-19)14-6-9-20-17-23-22-11-5-4-10-21(20)22;/h1-5,7-8,10-12,17,23H,6,9,13-16H2;1H
InChIKeyMRCDWFQDBPYEMK-UHFFFAOYSA-N
XLogP5.31
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.91
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride
CID 10386307
5-fluoro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole;hydrochloride
CID 10475148
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
3-(1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 2524334
6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483148
[3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate
CID 70364403
2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483326
2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 116997247
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
3-[4-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67883250
3-[2-[4-(4-butoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethylsulfanylmethyl]-1H-indole
CID 57241611
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride?
The IUPAC name of 3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride (CID 10089396) is 3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride.
What is the SMILES notation for 3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride?
The canonical SMILES for 3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride is C1=C(c2ccccc2)CCN(CCCc2c[nH]c3ccccc23)C1.Cl.
What is the InChIKey of 3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride?
The InChIKey is MRCDWFQDBPYEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2.ClH/c1-2-7-18(8-3-1)19-12-15-24(16-13-19)14-6-9-20-17-23-22-11-5-4-10-21(20)22;/h1-5,7-8,10-12,17,23H,6,9,13-16H2;1H.
What are the key properties of 3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride?
3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride is sourced from PubChem (CID 10089396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).