1-(2,2-dimethoxyethyl)piperidin-4-amine

C9H20N2O2 — CID 66221486

IUPAC1-(2,2-dimethoxyethyl)piperidin-4-amine
SMILESCOC(CN1CCC(N)CC1)OC
InChIInChI=1S/C9H20N2O2/c1-12-9(13-2)7-11-5-3-8(10)4-6-11/h8-9H,3-7,10H2,1-2H3
InChIKeyIIHSKBWWUAJWQK-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.03
Rot. Bonds4

About 1-(2,2-dimethoxyethyl)piperidin-4-amine

1-(2,2-dimethoxyethyl)piperidin-4-amine (PubChem CID 66221486) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)piperidin-4-amine
PubChem CID66221486
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-(2,2-dimethoxyethyl)piperidin-4-amine
SMILESCOC(CN1CCC(N)CC1)OC
InChIInChI=1S/C9H20N2O2/c1-12-9(13-2)7-11-5-3-8(10)4-6-11/h8-9H,3-7,10H2,1-2H3
InChIKeyIIHSKBWWUAJWQK-UHFFFAOYSA-N
XLogP0.03
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
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

1-(2,2-dimethoxyethyl)pyrrolidin-3-amine
CID 66222555
[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine
CID 66222772
1-(2,2-dimethoxyethyl)-4-piperidin-1-ylpiperidine
CID 66223606
1-(4-aminopiperidin-1-yl)propan-2-ol
CID 60886845
N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide
CID 105346505
1-(2-fluoropropyl)piperidin-4-amine;hydrochloride
CID 67351391
1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine
CID 66223207
1-(2,2-dimethoxyethyl)-3-ethylpiperidine
CID 66221675
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol
CID 112626536
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
1-(2,2-dimethoxyethyl)-4,4-dimethylazepane
CID 66222358
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)piperidin-4-amine?
The IUPAC name of 1-(2,2-dimethoxyethyl)piperidin-4-amine (CID 66221486) is 1-(2,2-dimethoxyethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)piperidin-4-amine?
The canonical SMILES for 1-(2,2-dimethoxyethyl)piperidin-4-amine is COC(CN1CCC(N)CC1)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)piperidin-4-amine?
The InChIKey is IIHSKBWWUAJWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-12-9(13-2)7-11-5-3-8(10)4-6-11/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1-(2,2-dimethoxyethyl)piperidin-4-amine?
1-(2,2-dimethoxyethyl)piperidin-4-amine has a molecular weight of 188.27 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)piperidin-4-amine is sourced from PubChem (CID 66221486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).