3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine

C17H24ClN3 — CID 141133510

IUPAC3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine
SMILESC=CCc1cnc(NC2CCN(CC3CC3)CC2)c(Cl)c1
InChIInChI=1S/C17H24ClN3/c1-2-3-14-10-16(18)17(19-11-14)20-15-6-8-21(9-7-15)12-13-4-5-13/h2,10-11,13,15H,1,3-9,12H2,(H,19,20)
InChIKeyPXHUJURUFFSYSS-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.75
Rot. Bonds6

About 3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine

3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine (PubChem CID 141133510) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine
PubChem CID141133510
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine
SMILESC=CCc1cnc(NC2CCN(CC3CC3)CC2)c(Cl)c1
InChIInChI=1S/C17H24ClN3/c1-2-3-14-10-16(18)17(19-11-14)20-15-6-8-21(9-7-15)12-13-4-5-13/h2,10-11,13,15H,1,3-9,12H2,(H,19,20)
InChIKeyPXHUJURUFFSYSS-UHFFFAOYSA-N
XLogP3.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine (CID 141133510) is 3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine is C=CCc1cnc(NC2CCN(CC3CC3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine?
The InChIKey is PXHUJURUFFSYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-2-3-14-10-16(18)17(19-11-14)20-15-6-8-21(9-7-15)12-13-4-5-13/h2,10-11,13,15H,1,3-9,12H2,(H,19,20).
What are the key properties of 3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine?
3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine has a molecular weight of 305.85 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine is sourced from PubChem (CID 141133510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).