4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine

C13H29N3 — CID 24710650

IUPAC4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine
SMILESCCN(CC)C1(CN)CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3/c1-5-16(6-2)13(11-14)7-9-15(10-8-13)12(3)4/h12H,5-11,14H2,1-4H3
InChIKeyJQHSSWPTAGSCDD-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds5

About 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine

4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine (PubChem CID 24710650) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine
PubChem CID24710650
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine
SMILESCCN(CC)C1(CN)CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3/c1-5-16(6-2)13(11-14)7-9-15(10-8-13)12(3)4/h12H,5-11,14H2,1-4H3
InChIKeyJQHSSWPTAGSCDD-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N,N-diethyl-1-propan-2-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 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine (CID 24710650) is 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine is CCN(CC)C1(CN)CCN(C(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine?
The InChIKey is JQHSSWPTAGSCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-16(6-2)13(11-14)7-9-15(10-8-13)12(3)4/h12H,5-11,14H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine?
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 24710650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).