1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine

C12H23N3 — CID 80553821

IUPAC1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine
SMILESC=CCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C12H23N3/c1-2-6-14-7-5-12(10-14)15-8-3-11(13)4-9-15/h2,11-12H,1,3-10,13H2
InChIKeyQSLIOURGGQRCCF-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.67
Rot. Bonds3

About 1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine

1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine (PubChem CID 80553821) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine
PubChem CID80553821
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine
SMILESC=CCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C12H23N3/c1-2-6-14-7-5-12(10-14)15-8-3-11(13)4-9-15/h2,11-12H,1,3-10,13H2
InChIKeyQSLIOURGGQRCCF-UHFFFAOYSA-N
XLogP0.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553218
1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine
CID 107008057
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553769
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 82885892
1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473943
4-piperidin-1-yl-1-prop-2-enylpiperidine
CID 51086783
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328370
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473944
1-(1-octylpyrrolidin-3-yl)piperidin-4-amine
CID 80553977
3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propanoic acid
CID 80553786
1-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-4-amine
CID 59410340

Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine?
The IUPAC name of 1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine (CID 80553821) is 1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine is C=CCN1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine?
The InChIKey is QSLIOURGGQRCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-6-14-7-5-12(10-14)15-8-3-11(13)4-9-15/h2,11-12H,1,3-10,13H2.
What are the key properties of 1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine?
1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine has a molecular weight of 209.34 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine is sourced from PubChem (CID 80553821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).