2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol

C13H28N2O — CID 43499437

IUPAC2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol
SMILESCCCN1CCC(C(C)NC(C)CO)CC1
InChIInChI=1S/C13H28N2O/c1-4-7-15-8-5-13(6-9-15)12(3)14-11(2)10-16/h11-14,16H,4-10H2,1-3H3
InChIKeyWACDHDIXESPHIM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds6

About 2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol

2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol (PubChem CID 43499437) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol
PubChem CID43499437
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol
SMILESCCCN1CCC(C(C)NC(C)CO)CC1
InChIInChI=1S/C13H28N2O/c1-4-7-15-8-5-13(6-9-15)12(3)14-11(2)10-16/h11-14,16H,4-10H2,1-3H3
InChIKeyWACDHDIXESPHIM-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

1-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-2-amine
CID 43307539
3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine
CID 113457709
(2R)-2-(1-cyclopentylethylamino)propan-1-ol
CID 114987079
ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate
CID 61498192
2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol
CID 106250980
3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol
CID 113492078
2-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106290472
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993376
1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-3-ol
CID 113497532
3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106284532
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 43692479

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol?
The IUPAC name of 2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol (CID 43499437) is 2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol is CCCN1CCC(C(C)NC(C)CO)CC1.
What is the InChIKey of 2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol?
The InChIKey is WACDHDIXESPHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-15-8-5-13(6-9-15)12(3)14-11(2)10-16/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol?
2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-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 2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 43499437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).