3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol

C13H28N2O — CID 114496458

IUPAC3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol
SMILESCCN(CC(O)(CC)CC)C1CCCNC1
InChIInChI=1S/C13H28N2O/c1-4-13(16,5-2)11-15(6-3)12-8-7-9-14-10-12/h12,14,16H,4-11H2,1-3H3
InChIKeyVDUIRGVGBCVTNN-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds6

About 3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol

3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol (PubChem CID 114496458) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol
PubChem CID114496458
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol
SMILESCCN(CC(O)(CC)CC)C1CCCNC1
InChIInChI=1S/C13H28N2O/c1-4-13(16,5-2)11-15(6-3)12-8-7-9-14-10-12/h12,14,16H,4-11H2,1-3H3
InChIKeyVDUIRGVGBCVTNN-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 114496456
4-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 79354875
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-but-2-enyl-N-ethylpiperidin-3-amine
CID 77002860
N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 115514896
N-but-2-ynyl-N-ethylpiperidin-3-amine
CID 63636615
N-ethyl-N-(3-methoxy-3-methylbutyl)piperidin-3-amine
CID 103034843
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
3-[ethyl(piperidin-3-yl)amino]propanenitrile
CID 63636952
N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine
CID 104575642
4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
CID 63643977
N-ethyl-N-(2-propoxyethyl)piperidin-3-amine
CID 106455012

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol (CID 114496458) is 3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol is CCN(CC(O)(CC)CC)C1CCCNC1.
What is the InChIKey of 3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol?
The InChIKey is VDUIRGVGBCVTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-13(16,5-2)11-15(6-3)12-8-7-9-14-10-12/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol?
3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 114496458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).