2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol

C14H30N2O — CID 114515594

IUPAC2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol
SMILESCC(C)C(C)(O)CNCCC1CCN(C)CC1
InChIInChI=1S/C14H30N2O/c1-12(2)14(3,17)11-15-8-5-13-6-9-16(4)10-7-13/h12-13,15,17H,5-11H2,1-4H3
InChIKeyBUPPMLNVEJVLAA-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.71
Rot. Bonds6

About 2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol

2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol (PubChem CID 114515594) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol
PubChem CID114515594
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol
SMILESCC(C)C(C)(O)CNCCC1CCN(C)CC1
InChIInChI=1S/C14H30N2O/c1-12(2)14(3,17)11-15-8-5-13-6-9-16(4)10-7-13/h12-13,15,17H,5-11H2,1-4H3
InChIKeyBUPPMLNVEJVLAA-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.71
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

2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine
CID 114200185
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
CID 115224308
2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132495
N-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515397
3,3-dimethyl-4-[2-(1-methylpyrrolidin-3-yl)ethylamino]butanoic acid
CID 115220444
2,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]butane-1,4-diamine
CID 115204592
2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoic acid
CID 114515260
1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111085397
2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine
CID 114515675

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol (CID 114515594) is 2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol is CC(C)C(C)(O)CNCCC1CCN(C)CC1.
What is the InChIKey of 2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol?
The InChIKey is BUPPMLNVEJVLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)14(3,17)11-15-8-5-13-6-9-16(4)10-7-13/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol?
2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 114515594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).