2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C21H30N4O — CID 56917351

IUPAC2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCN(C3CCCC3)C(CCO)C1)CCCC2
InChIInChI=1S/C21H30N4O/c22-14-17-13-16-5-1-4-8-20(16)23-21(17)24-10-11-25(18-6-2-3-7-18)19(15-24)9-12-26/h13,18-19,26H,1-12,15H2
InChIKeyNFGOUZJULGFVJU-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.65
Rot. Bonds4

About 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 56917351) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID56917351
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCN(C3CCCC3)C(CCO)C1)CCCC2
InChIInChI=1S/C21H30N4O/c22-14-17-13-16-5-1-4-8-20(16)23-21(17)24-10-11-25(18-6-2-3-7-18)19(15-24)9-12-26/h13,18-19,26H,1-12,15H2
InChIKeyNFGOUZJULGFVJU-UHFFFAOYSA-N
XLogP2.65
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 1454284
CID 1454284
CID 658238
CID 658238
CID 56740030
CID 56740030
CID 56755220
CID 56755220
CID 56904110
CID 56904110
CID 56900507
CID 56900507
CID 70742733
CID 70742733
CID 70754285
CID 70754285
CID 70765411
CID 70765411
CID 95895222
CID 95895222
CID 132386015
CID 132386015
CID 136557293
CID 136557293

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 56917351) is 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1N1CCN(C3CCCC3)C(CCO)C1)CCCC2.
What is the InChIKey of 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is NFGOUZJULGFVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c22-14-17-13-16-5-1-4-8-20(16)23-21(17)24-10-11-25(18-6-2-3-7-18)19(15-24)9-12-26/h13,18-19,26H,1-12,15H2.
What are the key properties of 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 354.50 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 56917351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).