1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine

C14H19ClN2S — CID 26458363

IUPAC1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine
SMILESClc1ccc(N2CCN([C@@H]3CCSC3)CC2)cc1
InChIInChI=1S/C14H19ClN2S/c15-12-1-3-13(4-2-12)16-6-8-17(9-7-16)14-5-10-18-11-14/h1-4,14H,5-11H2/t14-/m1/s1
InChIKeyVNXLJDWQUFOKTM-CQSZACIVSA-N
MW282.84 g/mol
LogP2.97
Rot. Bonds2

About 1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine

1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine (PubChem CID 26458363) has the molecular formula C14H19ClN2S and a molecular weight of 282.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine
PubChem CID26458363
Molecular FormulaC14H19ClN2S
Molecular Weight282.84 g/mol
Exact Mass282.10
IUPAC Name1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine
SMILESClc1ccc(N2CCN([C@@H]3CCSC3)CC2)cc1
InChIInChI=1S/C14H19ClN2S/c15-12-1-3-13(4-2-12)16-6-8-17(9-7-16)14-5-10-18-11-14/h1-4,14H,5-11H2/t14-/m1/s1
InChIKeyVNXLJDWQUFOKTM-CQSZACIVSA-N
XLogP2.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine
CID 124841342
4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 114762371
1-(4-chlorophenyl)-4-(4-methylcyclohexyl)piperazine
CID 23856792
1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 30983731
1-[4-[4-(thian-4-yl)piperazin-1-yl]phenyl]ethanone
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3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]thiomorpholine
CID 82916644
1-phenyl-4-(thiolan-3-yl)piperazin-2-one
CID 131942443
2-(4-chlorophenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939590
3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane
CID 11359266
4-(4-cyclopropylpiperazin-1-yl)benzenethiol
CID 91011479
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine
CID 4061277
4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine
CID 131891424

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine (CID 26458363) is 1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine is Clc1ccc(N2CCN([C@@H]3CCSC3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine?
The InChIKey is VNXLJDWQUFOKTM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19ClN2S/c15-12-1-3-13(4-2-12)16-6-8-17(9-7-16)14-5-10-18-11-14/h1-4,14H,5-11H2/t14-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine?
1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine has a molecular weight of 282.84 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine is sourced from PubChem (CID 26458363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).