1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine

C18H35N3 — CID 104575667

IUPAC1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine
SMILESCC(C)(C)C1CCC(CN2CCN(C3CNC3)CC2)CC1
InChIInChI=1S/C18H35N3/c1-18(2,3)16-6-4-15(5-7-16)14-20-8-10-21(11-9-20)17-12-19-13-17/h15-17,19H,4-14H2,1-3H3
InChIKeyJYDAAMWNQGRXMT-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.43
Rot. Bonds3

About 1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine

1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine (PubChem CID 104575667) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine
PubChem CID104575667
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine
SMILESCC(C)(C)C1CCC(CN2CCN(C3CNC3)CC2)CC1
InChIInChI=1S/C18H35N3/c1-18(2,3)16-6-4-15(5-7-16)14-20-8-10-21(11-9-20)17-12-19-13-17/h15-17,19H,4-14H2,1-3H3
InChIKeyJYDAAMWNQGRXMT-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-4-(cyclobutylmethyl)piperazine
CID 66203334
1-(azetidin-3-yl)-4-(cyclopentylmethyl)piperazine
CID 66201359
1-(azetidin-3-yl)-4-tert-butylpiperidine
CID 62785369
4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
CID 176760528
1-(azetidin-3-yl)-4-(2-cyclopropylethyl)piperazine
CID 66203927
1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
1-(azetidin-3-yl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 79612100
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine
CID 20761838
1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine
CID 104575657
4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine
CID 167091256
1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine
CID 104575640

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine (CID 104575667) is 1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine is CC(C)(C)C1CCC(CN2CCN(C3CNC3)CC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine?
The InChIKey is JYDAAMWNQGRXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-18(2,3)16-6-4-15(5-7-16)14-20-8-10-21(11-9-20)17-12-19-13-17/h15-17,19H,4-14H2,1-3H3.
What are the key properties of 1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine?
1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine has a molecular weight of 293.50 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine is sourced from PubChem (CID 104575667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).