4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine

C17H25NOS — CID 117471005

IUPAC4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine
SMILESc1cc(OC2CCSCC2)ccc1CC1CCNCC1
InChIInChI=1S/C17H25NOS/c1-3-16(19-17-7-11-20-12-8-17)4-2-14(1)13-15-5-9-18-10-6-15/h1-4,15,17-18H,5-13H2
InChIKeyADMMABNQUMJVBH-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.50
Rot. Bonds4

About 4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine

4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine (PubChem CID 117471005) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine
PubChem CID117471005
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine
SMILESc1cc(OC2CCSCC2)ccc1CC1CCNCC1
InChIInChI=1S/C17H25NOS/c1-3-16(19-17-7-11-20-12-8-17)4-2-14(1)13-15-5-9-18-10-6-15/h1-4,15,17-18H,5-13H2
InChIKeyADMMABNQUMJVBH-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine
CID 117471004
4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117405627
O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine
CID 117386767
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 66524896
1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine
CID 117446782
2-(4-piperidin-4-yloxyphenyl)acetaldehyde
CID 90039130
4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-(4-bromophenoxy)thiane
CID 134090229
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
4-(piperidin-4-ylmethyl)benzonitrile
CID 11644367

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine?
The IUPAC name of 4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine (CID 117471005) is 4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine is c1cc(OC2CCSCC2)ccc1CC1CCNCC1.
What is the InChIKey of 4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine?
The InChIKey is ADMMABNQUMJVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-3-16(19-17-7-11-20-12-8-17)4-2-14(1)13-15-5-9-18-10-6-15/h1-4,15,17-18H,5-13H2.
What are the key properties of 4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine?
4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine has a molecular weight of 291.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine is sourced from PubChem (CID 117471005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).