2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol

C12H26N2O2 — CID 177202230

IUPAC2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol
SMILESCCOCCN1CCC(CC(O)NC)CC1
InChIInChI=1S/C12H26N2O2/c1-3-16-9-8-14-6-4-11(5-7-14)10-12(15)13-2/h11-13,15H,3-10H2,1-2H3
InChIKeyKVPMHDWDPVRFGZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.66
Rot. Bonds7

About 2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol

2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol (PubChem CID 177202230) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol.

Molecular Properties

Compound Name2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol
PubChem CID177202230
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol
SMILESCCOCCN1CCC(CC(O)NC)CC1
InChIInChI=1S/C12H26N2O2/c1-3-16-9-8-14-6-4-11(5-7-14)10-12(15)13-2/h11-13,15H,3-10H2,1-2H3
InChIKeyKVPMHDWDPVRFGZ-UHFFFAOYSA-N
XLogP0.66
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine
CID 63852723
1-(2-ethoxyethyl)-N-methylpiperidine-4-carboxamide
CID 134055126
N-[[1-(3-ethoxypropyl)piperidin-4-yl]methyl]ethanamine
CID 65175474
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
1-(3-ethoxypropyl)-N-methylpiperidin-4-amine
CID 43315421
(2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 95309026
1-(2-ethoxyethyl)piperidine-4-carbaldehyde
CID 62654830
2-[2-[4-(ethoxymethyl)piperidin-1-yl]ethoxy]ethanol
CID 111439736
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
1-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]ethanol
CID 103684371
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol?
The IUPAC name of 2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol (CID 177202230) is 2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol.
What is the SMILES notation for 2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol?
The canonical SMILES for 2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol is CCOCCN1CCC(CC(O)NC)CC1.
What is the InChIKey of 2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol?
The InChIKey is KVPMHDWDPVRFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-16-9-8-14-6-4-11(5-7-14)10-12(15)13-2/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol?
2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol has a molecular weight of 230.35 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol is sourced from PubChem (CID 177202230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).