(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride

C22H24ClFN2O — CID 13180278

IUPAC(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)C1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H23FN2O.ClH/c23-19-7-5-16(6-8-19)22(26)17-9-12-25(13-10-17)14-11-18-15-24-21-4-2-1-3-20(18)21;/h1-8,15,17,24H,9-14H2;1H
InChIKeyDOINKKIYDOKUAK-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.87
Rot. Bonds5

About (4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride

(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride (PubChem CID 13180278) has the molecular formula C22H24ClFN2O and a molecular weight of 386.90 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
PubChem CID13180278
Molecular FormulaC22H24ClFN2O
Molecular Weight386.90 g/mol
Exact Mass386.16
IUPAC Name(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)C1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H23FN2O.ClH/c23-19-7-5-16(6-8-19)22(26)17-9-12-25(13-10-17)14-11-18-15-24-21-4-2-1-3-20(18)21;/h1-8,15,17,24H,9-14H2;1H
InChIKeyDOINKKIYDOKUAK-UHFFFAOYSA-N
XLogP4.87
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
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3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 51332191
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 165485504
2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide
CID 123331590
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of (4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride (CID 13180278) is (4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride is Cl.O=C(c1ccc(F)cc1)C1CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride?
The InChIKey is DOINKKIYDOKUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O.ClH/c23-19-7-5-16(6-8-19)22(26)17-9-12-25(13-10-17)14-11-18-15-24-21-4-2-1-3-20(18)21;/h1-8,15,17,24H,9-14H2;1H.
What are the key properties of (4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride?
(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride has a molecular weight of 386.90 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 13180278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).