1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol

C12H26N2O — CID 106638403

IUPAC1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol
SMILESCCC(O)CN(CC)CC1CCCNC1
InChIInChI=1S/C12H26N2O/c1-3-12(15)10-14(4-2)9-11-6-5-7-13-8-11/h11-13,15H,3-10H2,1-2H3
InChIKeyUFESWLCGDIGEPB-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds6

About 1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol

1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol (PubChem CID 106638403) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol
PubChem CID106638403
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol
SMILESCCC(O)CN(CC)CC1CCCNC1
InChIInChI=1S/C12H26N2O/c1-3-12(15)10-14(4-2)9-11-6-5-7-13-8-11/h11-13,15H,3-10H2,1-2H3
InChIKeyUFESWLCGDIGEPB-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,2-difluoro-N-(piperidin-3-ylmethyl)ethanamine
CID 106638969
2-cyclopentyl-N-ethyl-N-(piperidin-3-ylmethyl)ethanamine
CID 114191629
3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
CID 107400463
1-(piperidin-3-ylmethylamino)butan-2-ol
CID 102551549
(2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol
CID 99962951
2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol
CID 107494945
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
1-(piperidin-3-ylmethoxy)butan-2-ol
CID 106939364
1-methoxy-3-[methyl(piperidin-3-ylmethyl)amino]propan-2-ol
CID 80554421
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-ethyl-4-methylsulfanyl-N-(piperidin-3-ylmethyl)butan-1-amine
CID 106624526
N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106638991

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol?
The IUPAC name of 1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol (CID 106638403) is 1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol is CCC(O)CN(CC)CC1CCCNC1.
What is the InChIKey of 1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol?
The InChIKey is UFESWLCGDIGEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-12(15)10-14(4-2)9-11-6-5-7-13-8-11/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol?
1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 106638403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).