4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol

C20H27N3OS — CID 130451354

IUPAC4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCCCC2)cc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H27N3OS/c24-20-7-6-17(22-8-2-1-3-9-22)15-19(20)23-12-10-21(11-13-23)16-18-5-4-14-25-18/h4-7,14-15,24H,1-3,8-13,16H2
InChIKeyJFNRWFPFPBGMPD-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.77
Rot. Bonds4

About 4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol

4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol (PubChem CID 130451354) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol
PubChem CID130451354
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCCCC2)cc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H27N3OS/c24-20-7-6-17(22-8-2-1-3-9-22)15-19(20)23-12-10-21(11-13-23)16-18-5-4-14-25-18/h4-7,14-15,24H,1-3,8-13,16H2
InChIKeyJFNRWFPFPBGMPD-UHFFFAOYSA-N
XLogP3.77
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-di(piperidin-1-yl)phenol
CID 130450866
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
[4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone
CID 130451414
2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole
CID 71624770
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 19627017
4-bromo-2-methyl-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazin-3-one
CID 133302980
1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole
CID 134605166
1-(4-fluoro-2-nitrophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 78805462
1-(4-bromo-2-nitrophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 55378027
1-(2-bromoethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 80667707

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol?
The IUPAC name of 4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol (CID 130451354) is 4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol?
The canonical SMILES for 4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol is Oc1ccc(N2CCCCC2)cc1N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol?
The InChIKey is JFNRWFPFPBGMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c24-20-7-6-17(22-8-2-1-3-9-22)15-19(20)23-12-10-21(11-13-23)16-18-5-4-14-25-18/h4-7,14-15,24H,1-3,8-13,16H2.
What are the key properties of 4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol?
4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol has a molecular weight of 357.52 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol is sourced from PubChem (CID 130451354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).