3-(4-cyclopropylpiperazin-1-yl)propanal

C10H18N2O — CID 63039588

IUPAC3-(4-cyclopropylpiperazin-1-yl)propanal
SMILESO=CCCN1CCN(C2CC2)CC1
InChIInChI=1S/C10H18N2O/c13-9-1-4-11-5-7-12(8-6-11)10-2-3-10/h9-10H,1-8H2
InChIKeyRXIMRQMBRSEKPK-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.36
Rot. Bonds4

About 3-(4-cyclopropylpiperazin-1-yl)propanal

3-(4-cyclopropylpiperazin-1-yl)propanal (PubChem CID 63039588) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)propanal.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)propanal
PubChem CID63039588
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)propanal
SMILESO=CCCN1CCN(C2CC2)CC1
InChIInChI=1S/C10H18N2O/c13-9-1-4-11-5-7-12(8-6-11)10-2-3-10/h9-10H,1-8H2
InChIKeyRXIMRQMBRSEKPK-UHFFFAOYSA-N
XLogP0.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-oxopropyl)piperazin-1-yl]propanal
CID 137349424
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propanal
CID 63150721
1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861
3-[4-(3-methylbutyl)piperazin-1-yl]propanal
CID 164535551
1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 79842271
3-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]propanal
CID 130633012
1-(2-chloroethyl)-4-cyclopentylpiperazine
CID 4741622
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62556729
3-[4-(1-methylpiperidin-4-yl)-3-oxopiperazin-1-yl]propanal
CID 142004870
4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 138683529
1-but-3-enyl-4-piperidin-1-ylpiperidine
CID 142831237
1-cyclopropyl-4-(2-propan-2-yloxyethyl)piperazine
CID 166028340

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)propanal?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)propanal (CID 63039588) is 3-(4-cyclopropylpiperazin-1-yl)propanal.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)propanal?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)propanal is O=CCCN1CCN(C2CC2)CC1.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)propanal?
The InChIKey is RXIMRQMBRSEKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c13-9-1-4-11-5-7-12(8-6-11)10-2-3-10/h9-10H,1-8H2.
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)propanal?
3-(4-cyclopropylpiperazin-1-yl)propanal has a molecular weight of 182.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazin-1-yl)propanal is sourced from PubChem (CID 63039588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).