1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine

C16H25FN2 — CID 64954587

IUPAC1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(C(C)Cc2ccc(F)cc2)CCN1
InChIInChI=1S/C16H25FN2/c1-12(2)16-11-19(9-8-18-16)13(3)10-14-4-6-15(17)7-5-14/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyKEFQYEUTAAZJKU-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.69
Rot. Bonds4

About 1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine

1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine (PubChem CID 64954587) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine
PubChem CID64954587
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(C(C)Cc2ccc(F)cc2)CCN1
InChIInChI=1S/C16H25FN2/c1-12(2)16-11-19(9-8-18-16)13(3)10-14-4-6-15(17)7-5-14/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyKEFQYEUTAAZJKU-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine
CID 20794534
1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine
CID 114832354
1-[1-(4-fluorophenyl)propan-2-yl]-1,5-diazocane
CID 62992839
1-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-propan-2-yl-1,4-diazepane
CID 64950824
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64954315
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496
1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine
CID 64951915
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 40514699
1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine
CID 64924670
1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64833210
3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64954403
1-(3-ethylpentan-2-yl)-3-propan-2-ylpiperazine
CID 64953423

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine (CID 64954587) is 1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine is CC(C)C1CN(C(C)Cc2ccc(F)cc2)CCN1.
What is the InChIKey of 1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine?
The InChIKey is KEFQYEUTAAZJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)16-11-19(9-8-18-16)13(3)10-14-4-6-15(17)7-5-14/h4-7,12-13,16,18H,8-11H2,1-3H3.
What are the key properties of 1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine?
1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine is sourced from PubChem (CID 64954587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).