N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine

C16H34N4 — CID 82891574

IUPACN-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(CCN2CCN(C)CC2)C1
InChIInChI=1S/C16H34N4/c1-15(2)17-13-16-5-4-6-20(14-16)12-11-19-9-7-18(3)8-10-19/h15-17H,4-14H2,1-3H3
InChIKeyVPSBRBBZRJFDCA-UHFFFAOYSA-N
MW282.48 g/mol
LogP0.94
Rot. Bonds6

About N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine

N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine (PubChem CID 82891574) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
PubChem CID82891574
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC NameN-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(CCN2CCN(C)CC2)C1
InChIInChI=1S/C16H34N4/c1-15(2)17-13-16-5-4-6-20(14-16)12-11-19-9-7-18(3)8-10-19/h15-17H,4-14H2,1-3H3
InChIKeyVPSBRBBZRJFDCA-UHFFFAOYSA-N
XLogP0.94
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-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

Related Compounds

N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 55176008
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580790
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 82887872
1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 63241391
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63241892
N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241265
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine
CID 65161095
N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 55174076

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine (CID 82891574) is N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(CCN2CCN(C)CC2)C1.
What is the InChIKey of N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is VPSBRBBZRJFDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-15(2)17-13-16-5-4-6-20(14-16)12-11-19-9-7-18(3)8-10-19/h15-17H,4-14H2,1-3H3.
What are the key properties of N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 282.48 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 82891574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).