2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane

C20H45N3 — CID 170629635

IUPAC2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
SMILESCC.CC.CC1CN(C(C)C)C(C)CN1CC1CCN(C)CC1
InChIInChI=1S/C16H33N3.2C2H6/c1-13(2)19-11-14(3)18(10-15(19)4)12-16-6-8-17(5)9-7-16;2*1-2/h13-16H,6-12H2,1-5H3;2*1-2H3
InChIKeyIGRBJXJPKSITNY-UHFFFAOYSA-N
MW327.60 g/mol
LogP4.18
Rot. Bonds3

About 2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane

2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane (PubChem CID 170629635) has the molecular formula C20H45N3 and a molecular weight of 327.60 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane.

Molecular Properties

Compound Name2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
PubChem CID170629635
Molecular FormulaC20H45N3
Molecular Weight327.60 g/mol
Exact Mass327.36
IUPAC Name2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
SMILESCC.CC.CC1CN(C(C)C)C(C)CN1CC1CCN(C)CC1
InChIInChI=1S/C16H33N3.2C2H6/c1-13(2)19-11-14(3)18(10-15(19)4)12-16-6-8-17(5)9-7-16;2*1-2/h13-16H,6-12H2,1-5H3;2*1-2H3
InChIKeyIGRBJXJPKSITNY-UHFFFAOYSA-N
XLogP4.18
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;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

(5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
CID 170629504
1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165137727
2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170616894
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165138024
(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012
2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
CID 165137195
3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 113252406
2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616944
5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64936762
2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane
CID 170616937
(3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 167399026

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane?
The IUPAC name of 2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane (CID 170629635) is 2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane.
What is the SMILES notation for 2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane?
The canonical SMILES for 2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane is CC.CC.CC1CN(C(C)C)C(C)CN1CC1CCN(C)CC1.
What is the InChIKey of 2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane?
The InChIKey is IGRBJXJPKSITNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3.2C2H6/c1-13(2)19-11-14(3)18(10-15(19)4)12-16-6-8-17(5)9-7-16;2*1-2/h13-16H,6-12H2,1-5H3;2*1-2H3.
What are the key properties of 2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane?
2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane has a molecular weight of 327.60 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane is sourced from PubChem (CID 170629635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).