2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol

C15H30N2O — CID 64912841

IUPAC2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCN1CCCCC1CCNCC1CCCCC1O
InChIInChI=1S/C15H30N2O/c1-17-11-5-4-7-14(17)9-10-16-12-13-6-2-3-8-15(13)18/h13-16,18H,2-12H2,1H3
InChIKeyPJJHFVZIKHLDTE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds5

About 2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol

2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 64912841) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID64912841
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCN1CCCCC1CCNCC1CCCCC1O
InChIInChI=1S/C15H30N2O/c1-17-11-5-4-7-14(17)9-10-16-12-13-6-2-3-8-15(13)18/h13-16,18H,2-12H2,1H3
InChIKeyPJJHFVZIKHLDTE-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 107913747
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63712568
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416081
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol
CID 107230971
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931
4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107914068
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
CID 60692147
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 60688002
2-chloro-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107913930

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol (CID 64912841) is 2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol is CN1CCCCC1CCNCC1CCCCC1O.
What is the InChIKey of 2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is PJJHFVZIKHLDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-17-11-5-4-7-14(17)9-10-16-12-13-6-2-3-8-15(13)18/h13-16,18H,2-12H2,1H3.
What are the key properties of 2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol?
2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64912841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).