1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

C23H45N3 — CID 170953915

IUPAC1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCCC(C)C1CCC(N2CCN(CC3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C23H45N3/c1-5-20(4)22-6-8-23(9-7-22)26-16-14-24(15-17-26)18-21-10-12-25(13-11-21)19(2)3/h19-23H,5-18H2,1-4H3
InChIKeyFLIXRIHLMMVDQJ-UHFFFAOYSA-N
MW363.63 g/mol
LogP4.33
Rot. Bonds6

About 1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 170953915) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID170953915
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCCC(C)C1CCC(N2CCN(CC3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C23H45N3/c1-5-20(4)22-6-8-23(9-7-22)26-16-14-24(15-17-26)18-21-10-12-25(13-11-21)19(2)3/h19-23H,5-18H2,1-4H3
InChIKeyFLIXRIHLMMVDQJ-UHFFFAOYSA-N
XLogP4.33
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (CID 170953915) is 1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is CCC(C)C1CCC(N2CCN(CC3CCN(C(C)C)CC3)CC2)CC1.
What is the InChIKey of 1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is FLIXRIHLMMVDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3/c1-5-20(4)22-6-8-23(9-7-22)26-16-14-24(15-17-26)18-21-10-12-25(13-11-21)19(2)3/h19-23H,5-18H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 363.63 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 170953915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).