1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine

C16H24FN3 — CID 170185695

IUPAC1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine
SMILESF[C@H]1CNCCC1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24FN3/c17-15-12-18-7-6-16(15)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-5,15-16,18H,6-13H2/t15-,16?/m0/s1
InChIKeyWAHJQRNPSZOUJB-VYRBHSGPSA-N
MW277.39 g/mol
LogP1.50
Rot. Bonds3

About 1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine

1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine (PubChem CID 170185695) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine
PubChem CID170185695
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine
SMILESF[C@H]1CNCCC1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24FN3/c17-15-12-18-7-6-16(15)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-5,15-16,18H,6-13H2/t15-,16?/m0/s1
InChIKeyWAHJQRNPSZOUJB-VYRBHSGPSA-N
XLogP1.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
CID 56831723
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzylpiperidin-4-amine;piperazine
CID 68641719
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
(3S)-3-(4-benzylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 30327616
5-(4-benzylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 113361696
2-(4-benzylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80996804
azane;1-benzylpiperazine
CID 174866973
tert-butyl (3R,4S)-4-(4-benzylpiperazin-1-yl)-3-fluoropiperidine-1-carboxylate
CID 172617143
2-benzyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-8-thiol
CID 82383233
2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid
CID 117038247

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine?
The IUPAC name of 1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine (CID 170185695) is 1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine?
The canonical SMILES for 1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine is F[C@H]1CNCCC1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine?
The InChIKey is WAHJQRNPSZOUJB-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H24FN3/c17-15-12-18-7-6-16(15)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-5,15-16,18H,6-13H2/t15-,16?/m0/s1.
What are the key properties of 1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine?
1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine has a molecular weight of 277.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine is sourced from PubChem (CID 170185695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).