N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine

C14H20Cl2N2 — CID 63643457

IUPACN-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
SMILESCCN(Cc1c(Cl)cccc1Cl)C1CCCNC1
InChIInChI=1S/C14H20Cl2N2/c1-2-18(11-5-4-8-17-9-11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3
InChIKeyJMZLEDZLXGJTOR-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.57
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine

N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine (PubChem CID 63643457) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
PubChem CID63643457
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
SMILESCCN(Cc1c(Cl)cccc1Cl)C1CCCNC1
InChIInChI=1S/C14H20Cl2N2/c1-2-18(11-5-4-8-17-9-11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3
InChIKeyJMZLEDZLXGJTOR-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-N-ethylazetidin-3-amine
CID 66182519
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803
4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
CID 63643977
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-ethylpiperidin-3-amine
CID 63636959
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63642755
N-[(5-chloro-2-nitrophenyl)methyl]-N-ethylpiperidin-3-amine
CID 79580147
N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine
CID 63636373
N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine
CID 79240498
N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine
CID 55247967

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine (CID 63643457) is N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine is CCN(Cc1c(Cl)cccc1Cl)C1CCCNC1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine?
The InChIKey is JMZLEDZLXGJTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-2-18(11-5-4-8-17-9-11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine?
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine has a molecular weight of 287.23 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine is sourced from PubChem (CID 63643457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).