[2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol

C19H23NOS — CID 12700538

IUPAC[2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol
SMILESOCc1ccccc1Sc1ccccc1CN1CCCCC1
InChIInChI=1S/C19H23NOS/c21-15-17-9-3-5-11-19(17)22-18-10-4-2-8-16(18)14-20-12-6-1-7-13-20/h2-5,8-11,21H,1,6-7,12-15H2
InChIKeyPXGQQDHYGBHVDO-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.32
Rot. Bonds5

About [2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol

[2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol (PubChem CID 12700538) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is [2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol
PubChem CID12700538
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name[2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol
SMILESOCc1ccccc1Sc1ccccc1CN1CCCCC1
InChIInChI=1S/C19H23NOS/c21-15-17-9-3-5-11-19(17)22-18-10-4-2-8-16(18)14-20-12-6-1-7-13-20/h2-5,8-11,21H,1,6-7,12-15H2
InChIKeyPXGQQDHYGBHVDO-UHFFFAOYSA-N
XLogP4.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylsulfanylphenyl)methyl]azetidine
CID 131107256
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
2-(pyrrolidin-1-ylmethyl)benzenethiol
CID 46785608
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 117314853
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-phenyl-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydrazine
CID 169384769
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
2-[2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]sulfanylaniline
CID 141087074
[2-(azetidin-1-ylmethyl)phenyl]boronic acid
CID 175402198
[1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol
CID 50852233
[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725303

Frequently Asked Questions

What is the IUPAC name of [2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol?
The IUPAC name of [2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol (CID 12700538) is [2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol?
The canonical SMILES for [2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol is OCc1ccccc1Sc1ccccc1CN1CCCCC1.
What is the InChIKey of [2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol?
The InChIKey is PXGQQDHYGBHVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c21-15-17-9-3-5-11-19(17)22-18-10-4-2-8-16(18)14-20-12-6-1-7-13-20/h2-5,8-11,21H,1,6-7,12-15H2.
What are the key properties of [2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol?
[2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol has a molecular weight of 313.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 12700538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).