N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine

C21H38N4 — CID 171070163

IUPACN-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine
SMILESCCCC1(CCNC2CC=CC=N2)CCN(CC2CCNCC2)CC1
InChIInChI=1S/C21H38N4/c1-2-8-21(9-15-24-20-5-3-4-12-23-20)10-16-25(17-11-21)18-19-6-13-22-14-7-19/h3-4,12,19-20,22,24H,2,5-11,13-18H2,1H3
InChIKeyKNBGMBXAEWMXFI-UHFFFAOYSA-N
MW346.56 g/mol
LogP3.20
Rot. Bonds8

About N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine

N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine (PubChem CID 171070163) has the molecular formula C21H38N4 and a molecular weight of 346.56 g/mol. Its IUPAC name is N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine
PubChem CID171070163
Molecular FormulaC21H38N4
Molecular Weight346.56 g/mol
Exact Mass346.31
IUPAC NameN-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine
SMILESCCCC1(CCNC2CC=CC=N2)CCN(CC2CCNCC2)CC1
InChIInChI=1S/C21H38N4/c1-2-8-21(9-15-24-20-5-3-4-12-23-20)10-16-25(17-11-21)18-19-6-13-22-14-7-19/h3-4,12,19-20,22,24H,2,5-11,13-18H2,1H3
InChIKeyKNBGMBXAEWMXFI-UHFFFAOYSA-N
XLogP3.20
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-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 N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine?
The IUPAC name of N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine (CID 171070163) is N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine.
What is the SMILES notation for N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine?
The canonical SMILES for N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine is CCCC1(CCNC2CC=CC=N2)CCN(CC2CCNCC2)CC1.
What is the InChIKey of N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine?
The InChIKey is KNBGMBXAEWMXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4/c1-2-8-21(9-15-24-20-5-3-4-12-23-20)10-16-25(17-11-21)18-19-6-13-22-14-7-19/h3-4,12,19-20,22,24H,2,5-11,13-18H2,1H3.
What are the key properties of N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine?
N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine has a molecular weight of 346.56 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 171070163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).