1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol

C12H26N2O — CID 114496456

IUPAC1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
SMILESCCN(CC(C)(O)CC)C1CCCNC1
InChIInChI=1S/C12H26N2O/c1-4-12(3,15)10-14(5-2)11-7-6-8-13-9-11/h11,13,15H,4-10H2,1-3H3
InChIKeyKCCYYZQBLNQPRT-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds5

About 1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol

1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol (PubChem CID 114496456) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
PubChem CID114496456
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
SMILESCCN(CC(C)(O)CC)C1CCCNC1
InChIInChI=1S/C12H26N2O/c1-4-12(3,15)10-14(5-2)11-7-6-8-13-9-11/h11,13,15H,4-10H2,1-3H3
InChIKeyKCCYYZQBLNQPRT-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol
CID 114496458
4-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 79354875
1-[cyclopropyl(ethyl)amino]-2-methylbutan-2-ol
CID 114495344
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-ethyl-N-(3-methoxy-3-methylbutyl)piperidin-3-amine
CID 103034843
N-but-2-enyl-N-ethylpiperidin-3-amine
CID 77002860
N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine
CID 104575642
N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 115514896
N-but-2-ynyl-N-ethylpiperidin-3-amine
CID 63636615
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
3-[ethyl(piperidin-3-yl)amino]propanenitrile
CID 63636952
1-[ethyl(piperidin-4-yl)amino]-2-methylpropan-2-ol
CID 60883814

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol (CID 114496456) is 1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol is CCN(CC(C)(O)CC)C1CCCNC1.
What is the InChIKey of 1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol?
The InChIKey is KCCYYZQBLNQPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-12(3,15)10-14(5-2)11-7-6-8-13-9-11/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol?
1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 114496456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).