3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol

C23H32N2OS — CID 175690004

IUPAC3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol
SMILESOc1cccc(N(c2ccsc2)C2CCN(CC3CCCCCC3)CC2)c1
InChIInChI=1S/C23H32N2OS/c26-23-9-5-8-21(16-23)25(22-12-15-27-18-22)20-10-13-24(14-11-20)17-19-6-3-1-2-4-7-19/h5,8-9,12,15-16,18-20,26H,1-4,6-7,10-11,13-14,17H2
InChIKeyFTQWGXBIACAICD-UHFFFAOYSA-N
MW384.59 g/mol
LogP6.03
Rot. Bonds5

About 3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol

3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol (PubChem CID 175690004) has the molecular formula C23H32N2OS and a molecular weight of 384.59 g/mol. Its IUPAC name is 3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol.

Molecular Properties

Compound Name3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol
PubChem CID175690004
Molecular FormulaC23H32N2OS
Molecular Weight384.59 g/mol
Exact Mass384.22
IUPAC Name3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol
SMILESOc1cccc(N(c2ccsc2)C2CCN(CC3CCCCCC3)CC2)c1
InChIInChI=1S/C23H32N2OS/c26-23-9-5-8-21(16-23)25(22-12-15-27-18-22)20-10-13-24(14-11-20)17-19-6-3-1-2-4-7-19/h5,8-9,12,15-16,18-20,26H,1-4,6-7,10-11,13-14,17H2
InChIKeyFTQWGXBIACAICD-UHFFFAOYSA-N
XLogP6.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.59
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol
CID 175689875
3-[di(cyclobutyl)amino]phenol
CID 175178677
(2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine
CID 51946772
3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol
CID 175689964
3-[3-(cyclopropylmethyl)-2,4,5,6,7,8,9,9a-octahydro-1H-benzo[d]azepin-5a-yl]phenol;hydrobromide
CID 173446342
3-[cyclohexyl(propyl)amino]phenol
CID 57226980
3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 15670123
3-[2-(cyclopropylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]phenol
CID 3966372
3-[4-[di(propan-2-yl)carbamoyl]-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]anilino]benzamide
CID 10279578
N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 156705872
N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide
CID 45486062
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol?
The IUPAC name of 3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol (CID 175690004) is 3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol.
What is the SMILES notation for 3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol?
The canonical SMILES for 3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol is Oc1cccc(N(c2ccsc2)C2CCN(CC3CCCCCC3)CC2)c1.
What is the InChIKey of 3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol?
The InChIKey is FTQWGXBIACAICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2OS/c26-23-9-5-8-21(16-23)25(22-12-15-27-18-22)20-10-13-24(14-11-20)17-19-6-3-1-2-4-7-19/h5,8-9,12,15-16,18-20,26H,1-4,6-7,10-11,13-14,17H2.
What are the key properties of 3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol?
3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol has a molecular weight of 384.59 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol is sourced from PubChem (CID 175690004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).