[(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol

C14H26N2O — CID 134459519

IUPAC[(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol
SMILESC/N=C/C1CCCC[C@@H]1N1CCC[C@@H](CO)C1
InChIInChI=1S/C14H26N2O/c1-15-9-13-6-2-3-7-14(13)16-8-4-5-12(10-16)11-17/h9,12-14,17H,2-8,10-11H2,1H3/b15-9+/t12-,13?,14+/m1/s1
InChIKeyFGVDISSYBIXXSP-DPQBPYHOSA-N
MW238.37 g/mol
LogP1.95
Rot. Bonds3

About [(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol

[(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol (PubChem CID 134459519) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol
PubChem CID134459519
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol
SMILESC/N=C/C1CCCC[C@@H]1N1CCC[C@@H](CO)C1
InChIInChI=1S/C14H26N2O/c1-15-9-13-6-2-3-7-14(13)16-8-4-5-12(10-16)11-17/h9,12-14,17H,2-8,10-11H2,1H3/b15-9+/t12-,13?,14+/m1/s1
InChIKeyFGVDISSYBIXXSP-DPQBPYHOSA-N
XLogP1.95
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol (CID 134459519) is [(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol is C/N=C/C1CCCC[C@@H]1N1CCC[C@@H](CO)C1.
What is the InChIKey of [(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol?
The InChIKey is FGVDISSYBIXXSP-DPQBPYHOSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15-9-13-6-2-3-7-14(13)16-8-4-5-12(10-16)11-17/h9,12-14,17H,2-8,10-11H2,1H3/b15-9+/t12-,13?,14+/m1/s1.
What are the key properties of [(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol?
[(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol has a molecular weight of 238.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(1S)-2-(methyliminomethyl)cyclohexyl]piperidin-3-yl]methanol is sourced from PubChem (CID 134459519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).