1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine

C20H32ClN3O — CID 131912031

IUPAC1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine
SMILESCOCCN1CCCC(CNC2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H32ClN3O/c1-25-14-13-23-10-4-5-17(16-23)15-22-18-8-11-24(12-9-18)20-7-3-2-6-19(20)21/h2-3,6-7,17-18,22H,4-5,8-16H2,1H3
InChIKeyBQSVUAOFGQXOCH-UHFFFAOYSA-N
MW365.95 g/mol
LogP3.26
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine

1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine (PubChem CID 131912031) has the molecular formula C20H32ClN3O and a molecular weight of 365.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine
PubChem CID131912031
Molecular FormulaC20H32ClN3O
Molecular Weight365.95 g/mol
Exact Mass365.22
IUPAC Name1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine
SMILESCOCCN1CCCC(CNC2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H32ClN3O/c1-25-14-13-23-10-4-5-17(16-23)15-22-18-8-11-24(12-9-18)20-7-3-2-6-19(20)21/h2-3,6-7,17-18,22H,4-5,8-16H2,1H3
InChIKeyBQSVUAOFGQXOCH-UHFFFAOYSA-N
XLogP3.26
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-methylbenzyl)-4-(4-morpholinyl)aniline
CID 882363
2-chloro-N-[2-(morpholin-4-yl)ethyl]aniline
CID 28581421
[(3S)-1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-3-yl]methanol
CID 95144531
(3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine
CID 126435925
1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine
CID 164642700
1-[2-Ethoxyethyl]-3-methyl-4-anilinopiperidine
CID 14416739
2-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 28877194
2-chloro-4-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308731
2-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline
CID 43308732
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665574
2-chloro-4-fluoro-N-[2-(3-methylbutoxy)ethyl]aniline
CID 54956410

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine (CID 131912031) is 1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine is COCCN1CCCC(CNC2CCN(c3ccccc3Cl)CC2)C1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine?
The InChIKey is BQSVUAOFGQXOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN3O/c1-25-14-13-23-10-4-5-17(16-23)15-22-18-8-11-24(12-9-18)20-7-3-2-6-19(20)21/h2-3,6-7,17-18,22H,4-5,8-16H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine?
1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine has a molecular weight of 365.95 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 131912031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).