4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine

C12H27N3O — CID 102697133

IUPAC4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine
SMILESCCN1CCC(CN)(NCC(C)OC)CC1
InChIInChI=1S/C12H27N3O/c1-4-15-7-5-12(10-13,6-8-15)14-9-11(2)16-3/h11,14H,4-10,13H2,1-3H3
InChIKeyGCYJABAVSZOTQZ-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.42
Rot. Bonds6

About 4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine

4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine (PubChem CID 102697133) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine
PubChem CID102697133
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine
SMILESCCN1CCC(CN)(NCC(C)OC)CC1
InChIInChI=1S/C12H27N3O/c1-4-15-7-5-12(10-13,6-8-15)14-9-11(2)16-3/h11,14H,4-10,13H2,1-3H3
InChIKeyGCYJABAVSZOTQZ-UHFFFAOYSA-N
XLogP0.42
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine
CID 102697112
1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine
CID 102697325
1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine
CID 102697177
1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine
CID 102697260
2-(aminomethyl)-N-(2-methoxypropyl)-1,3-dihydroinden-2-amine
CID 102697309
3-(aminomethyl)-N-(2-methoxypropyl)-5,5-dimethylthian-3-amine
CID 102697134
1-ethyl-4-(methoxymethyl)-N-methylpiperidin-4-amine
CID 153405159
methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate
CID 62393991
4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine
CID 55011698
4-(aminomethyl)-1-propyl-N-prop-2-ynylpiperidin-4-amine
CID 65381576
4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 65384386
4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine
CID 82948086

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine (CID 102697133) is 4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine is CCN1CCC(CN)(NCC(C)OC)CC1.
What is the InChIKey of 4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine?
The InChIKey is GCYJABAVSZOTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-15-7-5-12(10-13,6-8-15)14-9-11(2)16-3/h11,14H,4-10,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine?
4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine has a molecular weight of 229.37 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine is sourced from PubChem (CID 102697133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).