N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine

C12H26N2O2 — CID 66221902

IUPACN-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)CC(OC)OC)CC1
InChIInChI=1S/C12H26N2O2/c1-5-14-8-6-11(7-9-14)13(2)10-12(15-3)16-4/h11-12H,5-10H2,1-4H3
InChIKeyKTUMTCKYJQSUNB-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.02
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine

N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 66221902) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine
PubChem CID66221902
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)CC(OC)OC)CC1
InChIInChI=1S/C12H26N2O2/c1-5-14-8-6-11(7-9-14)13(2)10-12(15-3)16-4/h11-12H,5-10H2,1-4H3
InChIKeyKTUMTCKYJQSUNB-UHFFFAOYSA-N
XLogP1.02
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine
CID 65011364
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
CID 142615692
2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367832
1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]propan-2-ol
CID 55004070
1-cyclohexyl-N'-(1-ethylpiperidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 104745568
2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 80996014
N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520485
1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol
CID 111106340
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine
CID 60816961
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
CID 171641475
2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369356
4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol
CID 64898823

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine (CID 66221902) is N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)CC(OC)OC)CC1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is KTUMTCKYJQSUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-14-8-6-11(7-9-14)13(2)10-12(15-3)16-4/h11-12H,5-10H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine?
N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 230.35 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 66221902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).