ethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol

C15H32N2O — CID 162439346

IUPACethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol
SMILESCC.CC/C(CCN1CCC(C)CC1CO)=N\C
InChIInChI=1S/C13H26N2O.C2H6/c1-4-12(14-3)6-8-15-7-5-11(2)9-13(15)10-16;1-2/h11,13,16H,4-10H2,1-3H3;1-2H3/b14-12+;
InChIKeyLFPAJGCHLQCYJQ-UNGNXWFZSA-N
MW256.43 g/mol
LogP2.98
Rot. Bonds5

About ethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol

ethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol (PubChem CID 162439346) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is ethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Nameethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol
PubChem CID162439346
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Nameethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol
SMILESCC.CC/C(CCN1CCC(C)CC1CO)=N\C
InChIInChI=1S/C13H26N2O.C2H6/c1-4-12(14-3)6-8-15-7-5-11(2)9-13(15)10-16;1-2/h11,13,16H,4-10H2,1-3H3;1-2H3/b14-12+;
InChIKeyLFPAJGCHLQCYJQ-UNGNXWFZSA-N
XLogP2.98
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,4R)-1-ethyl-4-methylpiperidin-2-yl]methanol
CID 145404764
(1-butyl-4-methylpiperidin-2-yl)methanamine
CID 63839555
2-(hydroxymethyl)-1-nonylpiperidin-4-ol
CID 126625553
(2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol
CID 138510968
[(2R)-1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 115277584
[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine
CID 63841352
4-(2,4-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide
CID 76939939
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
CID 63840214
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[4-methyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83158891
1-(2,4-dimethylpiperidin-1-yl)butan-2-one
CID 62330875
3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
CID 94161350

Frequently Asked Questions

What is the IUPAC name of ethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol?
The IUPAC name of ethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol (CID 162439346) is ethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol.
What is the SMILES notation for ethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol?
The canonical SMILES for ethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol is CC.CC/C(CCN1CCC(C)CC1CO)=N\C.
What is the InChIKey of ethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol?
The InChIKey is LFPAJGCHLQCYJQ-UNGNXWFZSA-N. The full InChI is InChI=1S/C13H26N2O.C2H6/c1-4-12(14-3)6-8-15-7-5-11(2)9-13(15)10-16;1-2/h11,13,16H,4-10H2,1-3H3;1-2H3/b14-12+;.
What are the key properties of ethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol?
ethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol has a molecular weight of 256.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-methyl-1-(3-methyliminopentyl)piperidin-2-yl]methanol is sourced from PubChem (CID 162439346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).