1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine

C21H40N2 — CID 170953584

IUPAC1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine
SMILESCC(C)C1CCC(CN2CCN(C3CC(C(C)C)C3)CC2)CC1
InChIInChI=1S/C21H40N2/c1-16(2)19-7-5-18(6-8-19)15-22-9-11-23(12-10-22)21-13-20(14-21)17(3)4/h16-21H,5-15H2,1-4H3
InChIKeyHFVYSXVRTMEJQL-UHFFFAOYSA-N
MW320.56 g/mol
LogP4.50
Rot. Bonds5

About 1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine

1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine (PubChem CID 170953584) has the molecular formula C21H40N2 and a molecular weight of 320.56 g/mol. Its IUPAC name is 1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine
PubChem CID170953584
Molecular FormulaC21H40N2
Molecular Weight320.56 g/mol
Exact Mass320.32
IUPAC Name1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine
SMILESCC(C)C1CCC(CN2CCN(C3CC(C(C)C)C3)CC2)CC1
InChIInChI=1S/C21H40N2/c1-16(2)19-7-5-18(6-8-19)15-22-9-11-23(12-10-22)21-13-20(14-21)17(3)4/h16-21H,5-15H2,1-4H3
InChIKeyHFVYSXVRTMEJQL-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine
CID 171598401
1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine
CID 177134711
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine
CID 20761838
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
CID 79617933
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine;methane
CID 160896318
3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine
CID 79469281
1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167282451
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
1-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170953915

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine?
The IUPAC name of 1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine (CID 170953584) is 1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine.
What is the SMILES notation for 1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine?
The canonical SMILES for 1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine is CC(C)C1CCC(CN2CCN(C3CC(C(C)C)C3)CC2)CC1.
What is the InChIKey of 1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine?
The InChIKey is HFVYSXVRTMEJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-16(2)19-7-5-18(6-8-19)15-22-9-11-23(12-10-22)21-13-20(14-21)17(3)4/h16-21H,5-15H2,1-4H3.
What are the key properties of 1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine?
1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine has a molecular weight of 320.56 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine is sourced from PubChem (CID 170953584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).