(2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile

C14H17N3 — CID 129388309

IUPAC(2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C[C@H](N1CCNCC1)C2
InChIInChI=1S/C14H17N3/c15-10-11-1-2-12-8-14(9-13(12)7-11)17-5-3-16-4-6-17/h1-2,7,14,16H,3-6,8-9H2/t14-/m1/s1
InChIKeyHVFCPSZDUUEFIO-CQSZACIVSA-N
MW227.31 g/mol
LogP0.93
Rot. Bonds1

About (2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile

(2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 129388309) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID129388309
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C[C@H](N1CCNCC1)C2
InChIInChI=1S/C14H17N3/c15-10-11-1-2-12-8-14(9-13(12)7-11)17-5-3-16-4-6-17/h1-2,7,14,16H,3-6,8-9H2/t14-/m1/s1
InChIKeyHVFCPSZDUUEFIO-CQSZACIVSA-N
XLogP0.93
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 22648168
1-(2,3-dihydro-1H-inden-2-yl)piperazine;dihydrochloride
CID 50944348
6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 58916989
(6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 10445028
1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile
CID 162434267
3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile
CID 67160773
2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile
CID 82163959
1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 84626441
1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 3596803
4-[[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methyl]benzonitrile
CID 77078967
4-cyclopropyl-3-piperazin-1-ylbenzonitrile
CID 171630505
6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 13488729

Frequently Asked Questions

What is the IUPAC name of (2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile (CID 129388309) is (2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1ccc2c(c1)C[C@H](N1CCNCC1)C2.
What is the InChIKey of (2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is HVFCPSZDUUEFIO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17N3/c15-10-11-1-2-12-8-14(9-13(12)7-11)17-5-3-16-4-6-17/h1-2,7,14,16H,3-6,8-9H2/t14-/m1/s1.
What are the key properties of (2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile?
(2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 227.31 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 129388309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).