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

C16H24N2OS — CID 117472448

IUPAC1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine
SMILESc1cc(OC2CCCSC2)ccc1CN1CCNCC1
InChIInChI=1S/C16H24N2OS/c1-2-16(13-20-11-1)19-15-5-3-14(4-6-15)12-18-9-7-17-8-10-18/h3-6,16-17H,1-2,7-13H2
InChIKeyAODXHTZQSATAOL-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.37
Rot. Bonds4

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

1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine (PubChem CID 117472448) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine
PubChem CID117472448
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine
SMILESc1cc(OC2CCCSC2)ccc1CN1CCNCC1
InChIInChI=1S/C16H24N2OS/c1-2-16(13-20-11-1)19-15-5-3-14(4-6-15)12-18-9-7-17-8-10-18/h3-6,16-17H,1-2,7-13H2
InChIKeyAODXHTZQSATAOL-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-(4-(1-Piperidinylmethyl)phenoxy)propyl)piperidine
CID 2766326
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 9879041
N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexanamine
CID 9880608
1-Methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
CID 10131633
1-((4-Methoxyphenyl)methyl)piperazine
CID 231905
1-[(4-Ethoxyphenyl)methyl]piperazine
CID 796533
(+/-)-2-(4''-Propoxyphenyl)thiomorpholine
CID 46233267
(+/-)-2-(4'-Butoxyphenyl)thiomorpholine
CID 46233268
(+/-)-2-(4''-Benzyloxyphenyl)thiomorpholine
CID 46233269
4-(4-Ethoxybenzyl)thiomorpholine
CID 765559
1-[4-(Benzyloxy)benzyl]-4-ethylpiperazine
CID 782983
1-Methyl-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperazine
CID 9967362

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine (CID 117472448) is 1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine is c1cc(OC2CCCSC2)ccc1CN1CCNCC1.
What is the InChIKey of 1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine?
The InChIKey is AODXHTZQSATAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-16(13-20-11-1)19-15-5-3-14(4-6-15)12-18-9-7-17-8-10-18/h3-6,16-17H,1-2,7-13H2.
What are the key properties of 1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine?
1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine has a molecular weight of 292.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine is sourced from PubChem (CID 117472448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).