4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide

C19H37N3O — CID 111959193

IUPAC4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CC1CCC(CC)CC1)N1CCC(OCC)CC1
InChIInChI=1S/C19H37N3O/c1-4-16-7-9-17(10-8-16)15-21-19(20-5-2)22-13-11-18(12-14-22)23-6-3/h16-18H,4-15H2,1-3H3,(H,20,21)
InChIKeyIEGOJZRGQIXDCW-UHFFFAOYSA-N
MW323.53 g/mol
LogP3.67
Rot. Bonds6

About 4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide

4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide (PubChem CID 111959193) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide
PubChem CID111959193
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CC1CCC(CC)CC1)N1CCC(OCC)CC1
InChIInChI=1S/C19H37N3O/c1-4-16-7-9-17(10-8-16)15-21-19(20-5-2)22-13-11-18(12-14-22)23-6-3/h16-18H,4-15H2,1-3H3,(H,20,21)
InChIKeyIEGOJZRGQIXDCW-UHFFFAOYSA-N
XLogP3.67
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
CID 111959313
N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448680
N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111960246
(3R)-N'-(cyclopropylmethyl)-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111549681
N'-[2-[cyclopropyl(methyl)amino]propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958906
4-ethoxy-N-ethyl-N'-[3-(2-methylpropoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111959036
methyl 5-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]pentanoate
CID 111959263
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958492
4-ethoxy-N-ethyl-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959650
4-ethoxy-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 111958977
methyl 5-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]pentanoate;hydroiodide
CID 111959262
3-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111958784

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide (CID 111959193) is 4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide is CCN/C(=N\CC1CCC(CC)CC1)N1CCC(OCC)CC1.
What is the InChIKey of 4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide?
The InChIKey is IEGOJZRGQIXDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-4-16-7-9-17(10-8-16)15-21-19(20-5-2)22-13-11-18(12-14-22)23-6-3/h16-18H,4-15H2,1-3H3,(H,20,21).
What are the key properties of 4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide?
4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide has a molecular weight of 323.53 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111959193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).