3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile

C17H23N3 — CID 62779738

IUPAC3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile
SMILESN#CCC(c1ccccc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C17H23N3/c18-9-8-17(16-4-2-1-3-5-16)20-12-10-19(11-13-20)14-15-6-7-15/h1-5,15,17H,6-8,10-14H2
InChIKeyTZCGCQAXQHYHDS-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.67
Rot. Bonds5

About 3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile

3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile (PubChem CID 62779738) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile
PubChem CID62779738
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile
SMILESN#CCC(c1ccccc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C17H23N3/c18-9-8-17(16-4-2-1-3-5-16)20-12-10-19(11-13-20)14-15-6-7-15/h1-5,15,17H,6-8,10-14H2
InChIKeyTZCGCQAXQHYHDS-UHFFFAOYSA-N
XLogP2.67
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile
CID 64597905
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-phenylpropanenitrile
CID 107455022
3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile
CID 62780582
3-[(3S)-3-methylpiperazin-1-yl]-3-phenylpropanenitrile
CID 104976929
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine
CID 61441577
3-(3-methylpiperazin-1-yl)-3-phenylpropanenitrile
CID 65449769
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-phenylpropanenitrile
CID 55117774
3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-3-phenylpropanenitrile
CID 79091874
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine
CID 61440628
1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide
CID 55117539
(3S)-3-(3-phenoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305866
(3R)-3-(3-phenoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306611

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile?
The IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile (CID 62779738) is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile?
The canonical SMILES for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile is N#CCC(c1ccccc1)N1CCN(CC2CC2)CC1.
What is the InChIKey of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile?
The InChIKey is TZCGCQAXQHYHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-9-8-17(16-4-2-1-3-5-16)20-12-10-19(11-13-20)14-15-6-7-15/h1-5,15,17H,6-8,10-14H2.
What are the key properties of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile?
3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile has a molecular weight of 269.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile is sourced from PubChem (CID 62779738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).