1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine

C18H37N3 — CID 156885442

IUPAC1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
SMILESCCN1CCC(CCCN2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-4-19-10-7-18(8-11-19)6-5-9-20-12-14-21(15-13-20)16-17(2)3/h17-18H,4-16H2,1-3H3
InChIKeyGSYSGSDIWVFUJK-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.77
Rot. Bonds7

About 1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine

1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine (PubChem CID 156885442) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
PubChem CID156885442
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
SMILESCCN1CCC(CCCN2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-4-19-10-7-18(8-11-19)6-5-9-20-12-14-21(15-13-20)16-17(2)3/h17-18H,4-16H2,1-3H3
InChIKeyGSYSGSDIWVFUJK-UHFFFAOYSA-N
XLogP2.77
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885357
1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine
CID 167538514
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612
1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
4-butyl-1-ethylpiperidine;hydrofluoride
CID 175875172
1-ethyl-4-[2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethyl]piperazine
CID 170364246
4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
CID 166466683
1-(2-cyclopropylethyl)-4-ethylpiperazine
CID 171795940
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
CID 166466682
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine (CID 156885442) is 1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine is CCN1CCC(CCCN2CCN(CC(C)C)CC2)CC1.
What is the InChIKey of 1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine?
The InChIKey is GSYSGSDIWVFUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-19-10-7-18(8-11-19)6-5-9-20-12-14-21(15-13-20)16-17(2)3/h17-18H,4-16H2,1-3H3.
What are the key properties of 1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine?
1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine has a molecular weight of 295.51 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 156885442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).