1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine

C14H29N3 — CID 79458358

IUPAC1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine
SMILESCCCN1CCC(NC2CCCC(N)C2)CC1
InChIInChI=1S/C14H29N3/c1-2-8-17-9-6-13(7-10-17)16-14-5-3-4-12(15)11-14/h12-14,16H,2-11,15H2,1H3
InChIKeyHYNKZMJBJZAVPH-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.72
Rot. Bonds4

About 1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine

1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine (PubChem CID 79458358) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine
PubChem CID79458358
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine
SMILESCCCN1CCC(NC2CCCC(N)C2)CC1
InChIInChI=1S/C14H29N3/c1-2-8-17-9-6-13(7-10-17)16-14-5-3-4-12(15)11-14/h12-14,16H,2-11,15H2,1H3
InChIKeyHYNKZMJBJZAVPH-UHFFFAOYSA-N
XLogP1.72
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine (CID 79458358) is 1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine is CCCN1CCC(NC2CCCC(N)C2)CC1.
What is the InChIKey of 1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine?
The InChIKey is HYNKZMJBJZAVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-8-17-9-6-13(7-10-17)16-14-5-3-4-12(15)11-14/h12-14,16H,2-11,15H2,1H3.
What are the key properties of 1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine?
1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine has a molecular weight of 239.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).