ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine

C15H27N3 — CID 91234805

IUPACethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine
SMILESCC.NCCCN1CCC(c2ccccn2)CC1
InChIInChI=1S/C13H21N3.C2H6/c14-7-3-9-16-10-5-12(6-11-16)13-4-1-2-8-15-13;1-2/h1-2,4,8,12H,3,5-7,9-11,14H2;1-2H3
InChIKeyKSZTVJZOKRGNSY-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.64
Rot. Bonds4

About ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine

ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine (PubChem CID 91234805) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Nameethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine
PubChem CID91234805
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Nameethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine
SMILESCC.NCCCN1CCC(c2ccccn2)CC1
InChIInChI=1S/C13H21N3.C2H6/c14-7-3-9-16-10-5-12(6-11-16)13-4-1-2-8-15-13;1-2/h1-2,4,8,12H,3,5-7,9-11,14H2;1-2H3
InChIKeyKSZTVJZOKRGNSY-UHFFFAOYSA-N
XLogP2.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine?
The IUPAC name of ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine (CID 91234805) is ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine is CC.NCCCN1CCC(c2ccccn2)CC1.
What is the InChIKey of ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine?
The InChIKey is KSZTVJZOKRGNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.C2H6/c14-7-3-9-16-10-5-12(6-11-16)13-4-1-2-8-15-13;1-2/h1-2,4,8,12H,3,5-7,9-11,14H2;1-2H3.
What are the key properties of ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine?
ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 91234805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).