1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol

C13H28N2O — CID 106837078

IUPAC1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol
SMILESCC(C)NCCCN1CCC(C(C)O)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)14-7-4-8-15-9-5-13(6-10-15)12(3)16/h11-14,16H,4-10H2,1-3H3
InChIKeyPWAZOMJIEGCXIV-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds6

About 1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol

1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol (PubChem CID 106837078) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol
PubChem CID106837078
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol
SMILESCC(C)NCCCN1CCC(C(C)O)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)14-7-4-8-15-9-5-13(6-10-15)12(3)16/h11-14,16H,4-10H2,1-3H3
InChIKeyPWAZOMJIEGCXIV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
1-(1-heptylpiperidin-4-yl)ethanol
CID 103688705
(1R)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethanol
CID 129386330
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
1-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]ethanol
CID 103684371
[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol
CID 115905715
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108
1-[4-[3-(propan-2-ylamino)propyl]piperazin-1-yl]propan-1-one
CID 146645130
N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine
CID 115709722
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43308281
3-methyl-1-[4-[[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one
CID 177119154

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol (CID 106837078) is 1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol is CC(C)NCCCN1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol?
The InChIKey is PWAZOMJIEGCXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)14-7-4-8-15-9-5-13(6-10-15)12(3)16/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol?
1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol 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 1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106837078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).