2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol

C18H29NOS — CID 114339840

IUPAC2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol
SMILESCCc1ccc(CN2CCCCC2C2CCCCC2O)s1
InChIInChI=1S/C18H29NOS/c1-2-14-10-11-15(21-14)13-19-12-6-5-8-17(19)16-7-3-4-9-18(16)20/h10-11,16-18,20H,2-9,12-13H2,1H3
InChIKeyXVYKFAFLQBXBSB-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.22
Rot. Bonds4

About 2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol

2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol (PubChem CID 114339840) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol
PubChem CID114339840
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol
SMILESCCc1ccc(CN2CCCCC2C2CCCCC2O)s1
InChIInChI=1S/C18H29NOS/c1-2-14-10-11-15(21-14)13-19-12-6-5-8-17(19)16-7-3-4-9-18(16)20/h10-11,16-18,20H,2-9,12-13H2,1H3
InChIKeyXVYKFAFLQBXBSB-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine
CID 63386907
2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339333
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340129
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 107556037
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
2-(1-octylpiperidin-2-yl)cyclohexan-1-ol
CID 114339769
2-[1-(2-hydroxy-2-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114497735
2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339641
2-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-2-yl]cyclohexan-1-ol
CID 114339826
2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339739
2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114350545

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol (CID 114339840) is 2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol is CCc1ccc(CN2CCCCC2C2CCCCC2O)s1.
What is the InChIKey of 2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is XVYKFAFLQBXBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-2-14-10-11-15(21-14)13-19-12-6-5-8-17(19)16-7-3-4-9-18(16)20/h10-11,16-18,20H,2-9,12-13H2,1H3.
What are the key properties of 2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol?
2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 307.50 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).