1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine

C21H41N3 — CID 166946013

IUPAC1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine
SMILESCCC1CCC(CCCN2CCN(C3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C21H41N3/c1-3-19-6-8-20(9-7-19)5-4-12-23-15-17-24(18-16-23)21-10-13-22(2)14-11-21/h19-21H,3-18H2,1-2H3
InChIKeyCDWZRMZULFUTDR-UHFFFAOYSA-N
MW335.58 g/mol
LogP3.69
Rot. Bonds6

About 1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine

1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine (PubChem CID 166946013) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine
PubChem CID166946013
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine
SMILESCCC1CCC(CCCN2CCN(C3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C21H41N3/c1-3-19-6-8-20(9-7-19)5-4-12-23-15-17-24(18-16-23)21-10-13-22(2)14-11-21/h19-21H,3-18H2,1-2H3
InChIKeyCDWZRMZULFUTDR-UHFFFAOYSA-N
XLogP3.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 167265161
1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine
CID 167265160
1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 62212520
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine
CID 170569555
1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885357
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 160625863
1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64776099
1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine
CID 165136754
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of 1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine (CID 166946013) is 1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine is CCC1CCC(CCCN2CCN(C3CCN(C)CC3)CC2)CC1.
What is the InChIKey of 1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is CDWZRMZULFUTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-3-19-6-8-20(9-7-19)5-4-12-23-15-17-24(18-16-23)21-10-13-22(2)14-11-21/h19-21H,3-18H2,1-2H3.
What are the key properties of 1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine?
1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 335.58 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 166946013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).