3-(2-propylpiperidin-1-yl)heptan-4-amine

C15H32N2 — CID 83052171

IUPAC3-(2-propylpiperidin-1-yl)heptan-4-amine
SMILESCCCC(N)C(CC)N1CCCCC1CCC
InChIInChI=1S/C15H32N2/c1-4-9-13-11-7-8-12-17(13)15(6-3)14(16)10-5-2/h13-15H,4-12,16H2,1-3H3
InChIKeyFCBBAIDMNAJTMS-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.55
Rot. Bonds7

About 3-(2-propylpiperidin-1-yl)heptan-4-amine

3-(2-propylpiperidin-1-yl)heptan-4-amine (PubChem CID 83052171) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-(2-propylpiperidin-1-yl)heptan-4-amine.

Molecular Properties

Compound Name3-(2-propylpiperidin-1-yl)heptan-4-amine
PubChem CID83052171
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-(2-propylpiperidin-1-yl)heptan-4-amine
SMILESCCCC(N)C(CC)N1CCCCC1CCC
InChIInChI=1S/C15H32N2/c1-4-9-13-11-7-8-12-17(13)15(6-3)14(16)10-5-2/h13-15H,4-12,16H2,1-3H3
InChIKeyFCBBAIDMNAJTMS-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propylpiperidin-1-yl)heptan-4-amine?
The IUPAC name of 3-(2-propylpiperidin-1-yl)heptan-4-amine (CID 83052171) is 3-(2-propylpiperidin-1-yl)heptan-4-amine.
What is the SMILES notation for 3-(2-propylpiperidin-1-yl)heptan-4-amine?
The canonical SMILES for 3-(2-propylpiperidin-1-yl)heptan-4-amine is CCCC(N)C(CC)N1CCCCC1CCC.
What is the InChIKey of 3-(2-propylpiperidin-1-yl)heptan-4-amine?
The InChIKey is FCBBAIDMNAJTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-9-13-11-7-8-12-17(13)15(6-3)14(16)10-5-2/h13-15H,4-12,16H2,1-3H3.
What are the key properties of 3-(2-propylpiperidin-1-yl)heptan-4-amine?
3-(2-propylpiperidin-1-yl)heptan-4-amine has a molecular weight of 240.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylpiperidin-1-yl)heptan-4-amine is sourced from PubChem (CID 83052171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).