2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine

C18H37N3 — CID 166466780

IUPAC2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine
SMILESCCCN1CCN(CCC2CCN(C(C)C)CC2)CC1C
InChIInChI=1S/C18H37N3/c1-5-9-21-14-13-19(15-17(21)4)10-6-18-7-11-20(12-8-18)16(2)3/h16-18H,5-15H2,1-4H3
InChIKeyAQAIBRNEUQTXPW-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.91
Rot. Bonds6

About 2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine

2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine (PubChem CID 166466780) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine.

Molecular Properties

Compound Name2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine
PubChem CID166466780
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine
SMILESCCCN1CCN(CCC2CCN(C(C)C)CC2)CC1C
InChIInChI=1S/C18H37N3/c1-5-9-21-14-13-19(15-17(21)4)10-6-18-7-11-20(12-8-18)16(2)3/h16-18H,5-15H2,1-4H3
InChIKeyAQAIBRNEUQTXPW-UHFFFAOYSA-N
XLogP2.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine
CID 154670454
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine
CID 170616884
2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616883
1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine
CID 146520434
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 177355504
4-octyl-1-propan-2-ylpiperidine
CID 167231286
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
1-(2-piperidin-4-ylethyl)-4-propan-2-ylpiperazine
CID 43585327
ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155702616
1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane
CID 170569172

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine?
The IUPAC name of 2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine (CID 166466780) is 2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine.
What is the SMILES notation for 2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine?
The canonical SMILES for 2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine is CCCN1CCN(CCC2CCN(C(C)C)CC2)CC1C.
What is the InChIKey of 2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine?
The InChIKey is AQAIBRNEUQTXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-9-21-14-13-19(15-17(21)4)10-6-18-7-11-20(12-8-18)16(2)3/h16-18H,5-15H2,1-4H3.
What are the key properties of 2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine?
2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine has a molecular weight of 295.52 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine is sourced from PubChem (CID 166466780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).