2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane

C18H38N2 — CID 170616937

IUPAC2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane
SMILESCC.CC1CCN(CC2CCN(C(C)C)CC2)C(C)C1
InChIInChI=1S/C16H32N2.C2H6/c1-13(2)17-9-6-16(7-10-17)12-18-8-5-14(3)11-15(18)4;1-2/h13-16H,5-12H2,1-4H3;1-2H3
InChIKeySNZISLDUVKJCKP-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.25
Rot. Bonds3

About 2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane

2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane (PubChem CID 170616937) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane.

Molecular Properties

Compound Name2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane
PubChem CID170616937
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane
SMILESCC.CC1CCN(CC2CCN(C(C)C)CC2)C(C)C1
InChIInChI=1S/C16H32N2.C2H6/c1-13(2)17-9-6-16(7-10-17)12-18-8-5-14(3)11-15(18)4;1-2/h13-16H,5-12H2,1-4H3;1-2H3
InChIKeySNZISLDUVKJCKP-UHFFFAOYSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane 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

3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176984317
2,4-dimethyl-1-[(2-methylcyclopropyl)methyl]piperidine
CID 130718623
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
CID 62331948
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616944
3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.2.1]octane
CID 167417926
(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine
CID 130645010
1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952684
ethane;4-methyl-1-propan-2-ylazepane
CID 144749711
2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-amine
CID 62610380
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane?
The IUPAC name of 2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane (CID 170616937) is 2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane.
What is the SMILES notation for 2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane?
The canonical SMILES for 2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane is CC.CC1CCN(CC2CCN(C(C)C)CC2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane?
The InChIKey is SNZISLDUVKJCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.C2H6/c1-13(2)17-9-6-16(7-10-17)12-18-8-5-14(3)11-15(18)4;1-2/h13-16H,5-12H2,1-4H3;1-2H3.
What are the key properties of 2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane?
2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane has a molecular weight of 282.52 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane is sourced from PubChem (CID 170616937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).