[(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol

C16H25NOS — CID 15103557

IUPAC[(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol
SMILESOC[C@@H]1CCCC[C@]1(c1cccs1)N1CCCCC1
InChIInChI=1S/C16H25NOS/c18-13-14-7-2-3-9-16(14,15-8-6-12-19-15)17-10-4-1-5-11-17/h6,8,12,14,18H,1-5,7,9-11,13H2/t14-,16-/m0/s1
InChIKeyKYQAMIUXCFTIHP-HOCLYGCPSA-N
MW279.45 g/mol
LogP3.61
Rot. Bonds3

About [(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol

[(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol (PubChem CID 15103557) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is [(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol
PubChem CID15103557
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name[(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol
SMILESOC[C@@H]1CCCC[C@]1(c1cccs1)N1CCCCC1
InChIInChI=1S/C16H25NOS/c18-13-14-7-2-3-9-16(14,15-8-6-12-19-15)17-10-4-1-5-11-17/h6,8,12,14,18H,1-5,7,9-11,13H2/t14-,16-/m0/s1
InChIKeyKYQAMIUXCFTIHP-HOCLYGCPSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl)methanol
CID 164513072
1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 67624546
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 44537953
(3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 10731255
(3R)-3-methyl-1-[(1S,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 10660186
3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine
CID 10707699
2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol
CID 10308365
(2-cyclopropyl-2-thiophen-2-ylcyclopropyl)methanol
CID 81358092
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
1-thiophen-2-ylcycloheptan-1-ol
CID 61103027
(1-thiophen-2-ylcyclobutyl)methanol
CID 83682682
1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole
CID 15233484

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol?
The IUPAC name of [(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol (CID 15103557) is [(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol.
What is the SMILES notation for [(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol?
The canonical SMILES for [(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol is OC[C@@H]1CCCC[C@]1(c1cccs1)N1CCCCC1.
What is the InChIKey of [(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol?
The InChIKey is KYQAMIUXCFTIHP-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H25NOS/c18-13-14-7-2-3-9-16(14,15-8-6-12-19-15)17-10-4-1-5-11-17/h6,8,12,14,18H,1-5,7,9-11,13H2/t14-,16-/m0/s1.
What are the key properties of [(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol?
[(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol has a molecular weight of 279.45 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol is sourced from PubChem (CID 15103557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).