1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine

C16H31N3 — CID 126892268

IUPAC1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CN(C3CCCCC3)C2)CC1
InChIInChI=1S/C16H31N3/c1-14(2)17-8-10-18(11-9-17)16-12-19(13-16)15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3
InChIKeyHZUWIJKZQBETQF-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.03
Rot. Bonds3

About 1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine

1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine (PubChem CID 126892268) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
PubChem CID126892268
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CN(C3CCCCC3)C2)CC1
InChIInChI=1S/C16H31N3/c1-14(2)17-8-10-18(11-9-17)16-12-19(13-16)15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3
InChIKeyHZUWIJKZQBETQF-UHFFFAOYSA-N
XLogP2.03
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1,4-dicyclohexyl-7-[1-(4,7-dicyclohexyl-1,4,7-triazonan-1-yl)ethyl]-1,4,7-triazonane
CID 23439594
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
1-(oxocan-4-yl)-4-propan-2-ylpiperazine
CID 146561161
4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane
CID 66203370
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
CID 161281609
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 145315776
4-(4-propan-2-ylpiperazin-1-yl)azepane
CID 63903106
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
1-cyclopentyl-4-(1-iodoethyl)piperazine
CID 139493034
ethane;methane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 160550613
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine (CID 126892268) is 1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C2CN(C3CCCCC3)C2)CC1.
What is the InChIKey of 1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine?
The InChIKey is HZUWIJKZQBETQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(2)17-8-10-18(11-9-17)16-12-19(13-16)15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine?
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine has a molecular weight of 265.44 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 126892268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).