1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine

C16H25N3 — CID 112677997

IUPAC1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H25N3/c1-2-15(17)14-5-3-4-6-16(14)19-11-9-18(10-12-19)13-7-8-13/h3-6,13,15H,2,7-12,17H2,1H3
InChIKeyPQHHFBHFENNHOE-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.38
Rot. Bonds4

About 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine

1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine (PubChem CID 112677997) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
PubChem CID112677997
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H25N3/c1-2-15(17)14-5-3-4-6-16(14)19-11-9-18(10-12-19)13-7-8-13/h3-6,13,15H,2,7-12,17H2,1H3
InChIKeyPQHHFBHFENNHOE-UHFFFAOYSA-N
XLogP2.38
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959029
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211
1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol
CID 103959062
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 78935482
(1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-amine
CID 103958889
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 112678137
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine
CID 112678164
(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine (CID 112677997) is 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine is CCC(N)c1ccccc1N1CCN(C2CC2)CC1.
What is the InChIKey of 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine?
The InChIKey is PQHHFBHFENNHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-15(17)14-5-3-4-6-16(14)19-11-9-18(10-12-19)13-7-8-13/h3-6,13,15H,2,7-12,17H2,1H3.
What are the key properties of 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine?
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 112677997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).