1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine

C20H31FN2 — CID 2846614

IUPAC1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine
SMILESCC(C)(C)C1CCC(N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C20H31FN2/c1-20(2,3)16-8-10-17(11-9-16)22-12-14-23(15-13-22)19-7-5-4-6-18(19)21/h4-7,16-17H,8-15H2,1-3H3
InChIKeyHUGUUVAWHRXBOF-UHFFFAOYSA-N
MW318.48 g/mol
LogP4.55
Rot. Bonds2

About 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine

1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine (PubChem CID 2846614) has the molecular formula C20H31FN2 and a molecular weight of 318.48 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine
PubChem CID2846614
Molecular FormulaC20H31FN2
Molecular Weight318.48 g/mol
Exact Mass318.25
IUPAC Name1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine
SMILESCC(C)(C)C1CCC(N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C20H31FN2/c1-20(2,3)16-8-10-17(11-9-16)22-12-14-23(15-13-22)19-7-5-4-6-18(19)21/h4-7,16-17H,8-15H2,1-3H3
InChIKeyHUGUUVAWHRXBOF-UHFFFAOYSA-N
XLogP4.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-4-[(1R,3R)-3-methylcyclopentyl]piperazine
CID 26458018
1-(2-fluorophenyl)-4-(3-methylcyclopentyl)piperazine
CID 2845312
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol
CID 71293978
2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine
CID 60918844
2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 56887015
1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 24799143
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
CID 2846257
(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 63368988
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1334438
4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 61441707

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine (CID 2846614) is 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine is CC(C)(C)C1CCC(N2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine?
The InChIKey is HUGUUVAWHRXBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2/c1-20(2,3)16-8-10-17(11-9-16)22-12-14-23(15-13-22)19-7-5-4-6-18(19)21/h4-7,16-17H,8-15H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine?
1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine has a molecular weight of 318.48 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 2846614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).