[1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol

C24H27NOS — CID 22744770

IUPAC[1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1ccccc1CSc1cccc2ccccc12
InChIInChI=1S/C24H27NOS/c26-17-22-12-5-6-15-25(22)16-20-9-1-2-10-21(20)18-27-24-14-7-11-19-8-3-4-13-23(19)24/h1-4,7-11,13-14,22,26H,5-6,12,15-18H2
InChIKeyHKCYUJLPMMMRCF-UHFFFAOYSA-N
MW377.55 g/mol
LogP5.48
Rot. Bonds6

About [1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol

[1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol (PubChem CID 22744770) has the molecular formula C24H27NOS and a molecular weight of 377.55 g/mol. Its IUPAC name is [1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol
PubChem CID22744770
Molecular FormulaC24H27NOS
Molecular Weight377.55 g/mol
Exact Mass377.18
IUPAC Name[1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1ccccc1CSc1cccc2ccccc12
InChIInChI=1S/C24H27NOS/c26-17-22-12-5-6-15-25(22)16-20-9-1-2-10-21(20)18-27-24-14-7-11-19-8-3-4-13-23(19)24/h1-4,7-11,13-14,22,26H,5-6,12,15-18H2
InChIKeyHKCYUJLPMMMRCF-UHFFFAOYSA-N
XLogP5.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.55
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol
CID 3116751
[(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 15504357
N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406641
[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
CID 43187015
[1-[(2-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116637573
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol (CID 22744770) is [1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol is OCC1CCCCN1Cc1ccccc1CSc1cccc2ccccc12.
What is the InChIKey of [1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol?
The InChIKey is HKCYUJLPMMMRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NOS/c26-17-22-12-5-6-15-25(22)16-20-9-1-2-10-21(20)18-27-24-14-7-11-19-8-3-4-13-23(19)24/h1-4,7-11,13-14,22,26H,5-6,12,15-18H2.
What are the key properties of [1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol?
[1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol has a molecular weight of 377.55 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 22744770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).