2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol

C9H20N2O — CID 115707421

IUPAC2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
SMILESCC1CN(C)CCC1NCCO
InChIInChI=1S/C9H20N2O/c1-8-7-11(2)5-3-9(8)10-4-6-12/h8-10,12H,3-7H2,1-2H3
InChIKeyLWQVFCWKOZFPHN-UHFFFAOYSA-N
MW172.27 g/mol
LogP-0.09
Rot. Bonds3

About 2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol

2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol (PubChem CID 115707421) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
PubChem CID115707421
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
SMILESCC1CN(C)CCC1NCCO
InChIInChI=1S/C9H20N2O/c1-8-7-11(2)5-3-9(8)10-4-6-12/h8-10,12H,3-7H2,1-2H3
InChIKeyLWQVFCWKOZFPHN-UHFFFAOYSA-N
XLogP-0.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
CID 115705278
4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid
CID 114503544
(2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol
CID 104931127
1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
CID 176675930
(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906380
N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115718324
1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 104584715
N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine
CID 115714557
1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine
CID 114503399
N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine
CID 103902206
1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
CID 115708963
2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 93258534

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol (CID 115707421) is 2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol is CC1CN(C)CCC1NCCO.
What is the InChIKey of 2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol?
The InChIKey is LWQVFCWKOZFPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8-7-11(2)5-3-9(8)10-4-6-12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol?
2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol has a molecular weight of 172.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol is sourced from PubChem (CID 115707421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).