1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol

C20H26N2OS — CID 70780091

IUPAC1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol
SMILESCSCc1ccc(N2CCC(C(O)Cc3ccccc3)CC2)nc1
InChIInChI=1S/C20H26N2OS/c1-24-15-17-7-8-20(21-14-17)22-11-9-18(10-12-22)19(23)13-16-5-3-2-4-6-16/h2-8,14,18-19,23H,9-13,15H2,1H3
InChIKeyOUXGEPCBVSCIBC-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.76
Rot. Bonds6

About 1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol

1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol (PubChem CID 70780091) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol.

Molecular Properties

Compound Name1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol
PubChem CID70780091
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol
SMILESCSCc1ccc(N2CCC(C(O)Cc3ccccc3)CC2)nc1
InChIInChI=1S/C20H26N2OS/c1-24-15-17-7-8-20(21-14-17)22-11-9-18(10-12-22)19(23)13-16-5-3-2-4-6-16/h2-8,14,18-19,23H,9-13,15H2,1H3
InChIKeyOUXGEPCBVSCIBC-UHFFFAOYSA-N
XLogP3.76
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol with MolForge

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Related Compounds

Azaperol
CID 3080589
(S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350942
1-Phenyl-3-(4-(pyridin-2-yl)piperazin-1-yl)propan-1-ol
CID 10827876
(1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 11849179
(1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 11849823
(R)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350991
1-Phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 2809777
[2,6-Bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanol
CID 162662586
1,2-Diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 12505324
2-[4-(2-Phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 56820782
6-[4-(2-Phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 56820783
1-(1-{[6-(Dimethylamino)-3-pyridinyl]methyl}-4-piperidinyl)-2-phenylethanol
CID 56909726

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol?
The IUPAC name of 1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol (CID 70780091) is 1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol.
What is the SMILES notation for 1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol?
The canonical SMILES for 1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol is CSCc1ccc(N2CCC(C(O)Cc3ccccc3)CC2)nc1.
What is the InChIKey of 1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol?
The InChIKey is OUXGEPCBVSCIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-24-15-17-7-8-20(21-14-17)22-11-9-18(10-12-22)19(23)13-16-5-3-2-4-6-16/h2-8,14,18-19,23H,9-13,15H2,1H3.
What are the key properties of 1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol?
1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol has a molecular weight of 342.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]-2-phenylethanol is sourced from PubChem (CID 70780091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).