1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine

C15H22N2OS — CID 117446782

IUPAC1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine
SMILESc1cc(OC2CCSC2)ccc1CN1CCNCC1
InChIInChI=1S/C15H22N2OS/c1-3-14(18-15-5-10-19-12-15)4-2-13(1)11-17-8-6-16-7-9-17/h1-4,15-16H,5-12H2
InChIKeyBRBWVUUGZZTDRI-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.98
Rot. Bonds4

About 1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine

1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine (PubChem CID 117446782) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine
PubChem CID117446782
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine
SMILESc1cc(OC2CCSC2)ccc1CN1CCNCC1
InChIInChI=1S/C15H22N2OS/c1-3-14(18-15-5-10-19-12-15)4-2-13(1)11-17-8-6-16-7-9-17/h1-4,15-16H,5-12H2
InChIKeyBRBWVUUGZZTDRI-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine
CID 117472448
4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine
CID 117471004
4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine
CID 117471005
1-[[3-chloro-4-(thian-4-yl)phenyl]methyl]piperazine
CID 117495742
1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine
CID 166799801
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine
CID 117366264
1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine
CID 84805335
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine
CID 117374711
2-[4-(piperazin-1-ylmethyl)phenoxy]acetic acid
CID 83525519
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine (CID 117446782) is 1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine is c1cc(OC2CCSC2)ccc1CN1CCNCC1.
What is the InChIKey of 1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine?
The InChIKey is BRBWVUUGZZTDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-14(18-15-5-10-19-12-15)4-2-13(1)11-17-8-6-16-7-9-17/h1-4,15-16H,5-12H2.
What are the key properties of 1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine?
1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine has a molecular weight of 278.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine is sourced from PubChem (CID 117446782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).