4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol

C13H28N2O — CID 64913210

IUPAC4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
SMILESCCN1CCC(C(C)NCCC(C)O)CC1
InChIInChI=1S/C13H28N2O/c1-4-15-9-6-13(7-10-15)12(3)14-8-5-11(2)16/h11-14,16H,4-10H2,1-3H3
InChIKeyWCJQSJJSFYJPPR-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds6

About 4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol

4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol (PubChem CID 64913210) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
PubChem CID64913210
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
SMILESCCN1CCC(C(C)NCCC(C)O)CC1
InChIInChI=1S/C13H28N2O/c1-4-15-9-6-13(7-10-15)12(3)14-8-5-11(2)16/h11-14,16H,4-10H2,1-3H3
InChIKeyWCJQSJJSFYJPPR-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-cyclopropylethylamino)butan-2-ol
CID 64911110
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43308281
4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-3-ol
CID 113497532
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82942170
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588
N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 107922937
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
CID 63855012
methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate
CID 43307422
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide
CID 43310362

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol?
The IUPAC name of 4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol (CID 64913210) is 4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol?
The canonical SMILES for 4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol is CCN1CCC(C(C)NCCC(C)O)CC1.
What is the InChIKey of 4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol?
The InChIKey is WCJQSJJSFYJPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-15-9-6-13(7-10-15)12(3)14-8-5-11(2)16/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol?
4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 64913210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).