3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine

C17H28N4 — CID 82346723

IUPAC3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C17H28N4/c18-8-3-9-19-12-14-21(15-13-19)17-6-4-16(5-7-17)20-10-1-2-11-20/h4-7H,1-3,8-15,18H2
InChIKeyAREJUPFNXNFPSB-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.76
Rot. Bonds5

About 3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine

3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine (PubChem CID 82346723) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine
PubChem CID82346723
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C17H28N4/c18-8-3-9-19-12-14-21(15-13-19)17-6-4-16(5-7-17)20-10-1-2-11-20/h4-7H,1-3,8-15,18H2
InChIKeyAREJUPFNXNFPSB-UHFFFAOYSA-N
XLogP1.76
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine
CID 82017690
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
3-[4-(azepan-1-yl)phenyl]propan-1-amine
CID 28806979
3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine
CID 98019621
4-(4-pentyl-1,4-diazepan-1-yl)aniline
CID 28809134
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
2-(4-pyridin-4-ylpiperazin-1-yl)ethanamine
CID 18440675
3-[4-(3-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 62734905
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
3-[4-(5-bromo-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870254
2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine
CID 28913887

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine (CID 82346723) is 3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine is NCCCN1CCN(c2ccc(N3CCCC3)cc2)CC1.
What is the InChIKey of 3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine?
The InChIKey is AREJUPFNXNFPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c18-8-3-9-19-12-14-21(15-13-19)17-6-4-16(5-7-17)20-10-1-2-11-20/h4-7H,1-3,8-15,18H2.
What are the key properties of 3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine?
3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 82346723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).