1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine

C19H29N3S — CID 124841342

IUPAC1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine
SMILESc1ccc(N2CCN(C3CCN([C@H]4CCSC4)CC3)CC2)cc1
InChIInChI=1S/C19H29N3S/c1-2-4-17(5-3-1)21-11-13-22(14-12-21)18-6-9-20(10-7-18)19-8-15-23-16-19/h1-5,18-19H,6-16H2/t19-/m0/s1
InChIKeyAGXHJEKWVUYJCH-IBGZPJMESA-N
MW331.53 g/mol
LogP2.78
Rot. Bonds3

About 1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine

1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine (PubChem CID 124841342) has the molecular formula C19H29N3S and a molecular weight of 331.53 g/mol. Its IUPAC name is 1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine
PubChem CID124841342
Molecular FormulaC19H29N3S
Molecular Weight331.53 g/mol
Exact Mass331.21
IUPAC Name1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine
SMILESc1ccc(N2CCN(C3CCN([C@H]4CCSC4)CC3)CC2)cc1
InChIInChI=1S/C19H29N3S/c1-2-4-17(5-3-1)21-11-13-22(14-12-21)18-6-9-20(10-7-18)19-8-15-23-16-19/h1-5,18-19H,6-16H2/t19-/m0/s1
InChIKeyAGXHJEKWVUYJCH-IBGZPJMESA-N
XLogP2.78
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine
CID 26458363
1-phenyl-4-(thiolan-3-yl)piperazin-2-one
CID 131942443
1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 30983731
1-cycloheptyl-4-phenylpiperazine
CID 2846720
1-phenyl-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine
CID 1317152
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine
CID 11877899
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine
CID 6916050
1-[4-[4-(thian-4-yl)piperazin-1-yl]phenyl]ethanone
CID 91833277
1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine
CID 6937921
4-(thiolan-3-yl)piperazin-1-amine
CID 121201883

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine?
The IUPAC name of 1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine (CID 124841342) is 1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine.
What is the SMILES notation for 1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine?
The canonical SMILES for 1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine is c1ccc(N2CCN(C3CCN([C@H]4CCSC4)CC3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine?
The InChIKey is AGXHJEKWVUYJCH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29N3S/c1-2-4-17(5-3-1)21-11-13-22(14-12-21)18-6-9-20(10-7-18)19-8-15-23-16-19/h1-5,18-19H,6-16H2/t19-/m0/s1.
What are the key properties of 1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine?
1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine has a molecular weight of 331.53 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine is sourced from PubChem (CID 124841342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).