1-heptan-4-ylpiperidin-4-amine

C12H26N2 — CID 29009442

IUPAC1-heptan-4-ylpiperidin-4-amine
SMILESCCCC(CCC)N1CCC(N)CC1
InChIInChI=1S/C12H26N2/c1-3-5-12(6-4-2)14-9-7-11(13)8-10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyCSOFIZHAJGGIDN-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds5

About 1-heptan-4-ylpiperidin-4-amine

1-heptan-4-ylpiperidin-4-amine (PubChem CID 29009442) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-heptan-4-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-heptan-4-ylpiperidin-4-amine
PubChem CID29009442
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-heptan-4-ylpiperidin-4-amine
SMILESCCCC(CCC)N1CCC(N)CC1
InChIInChI=1S/C12H26N2/c1-3-5-12(6-4-2)14-9-7-11(13)8-10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyCSOFIZHAJGGIDN-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-heptan-4-ylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-heptan-4-ylpiperidin-4-amine?
The IUPAC name of 1-heptan-4-ylpiperidin-4-amine (CID 29009442) is 1-heptan-4-ylpiperidin-4-amine.
What is the SMILES notation for 1-heptan-4-ylpiperidin-4-amine?
The canonical SMILES for 1-heptan-4-ylpiperidin-4-amine is CCCC(CCC)N1CCC(N)CC1.
What is the InChIKey of 1-heptan-4-ylpiperidin-4-amine?
The InChIKey is CSOFIZHAJGGIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-5-12(6-4-2)14-9-7-11(13)8-10-14/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-heptan-4-ylpiperidin-4-amine?
1-heptan-4-ylpiperidin-4-amine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-4-ylpiperidin-4-amine is sourced from PubChem (CID 29009442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).