3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal

C16H25N3O — CID 100932421

IUPAC3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal
SMILESNC(CC=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c17-16(8-14-20)19-12-10-18(11-13-19)9-4-7-15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13,17H2
InChIKeyJCCRQCAIIPCROI-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.11
Rot. Bonds7

About 3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal

3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal (PubChem CID 100932421) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal.

Molecular Properties

Compound Name3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal
PubChem CID100932421
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal
SMILESNC(CC=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c17-16(8-14-20)19-12-10-18(11-13-19)9-4-7-15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13,17H2
InChIKeyJCCRQCAIIPCROI-UHFFFAOYSA-N
XLogP1.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine
CID 22689518
(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol
CID 95308586
ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde
CID 142596902
4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride
CID 67607516
2-methyl-2-[4-(3-phenylpropyl)piperazin-1-yl]propanethioamide
CID 63342485
1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine
CID 90389497
2-chloro-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 12563664
2-amino-1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butan-1-one;hydrochloride
CID 75449499
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267639
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal?
The IUPAC name of 3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal (CID 100932421) is 3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal.
What is the SMILES notation for 3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal?
The canonical SMILES for 3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal is NC(CC=O)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal?
The InChIKey is JCCRQCAIIPCROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-16(8-14-20)19-12-10-18(11-13-19)9-4-7-15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13,17H2.
What are the key properties of 3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal?
3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal has a molecular weight of 275.40 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal is sourced from PubChem (CID 100932421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).