N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

C15H22Cl2N2 — CID 79715751

IUPACN-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1c(Cl)cccc1Cl)CC1CCNCC1
InChIInChI=1S/C15H22Cl2N2/c1-2-19(10-12-6-8-18-9-7-12)11-13-14(16)4-3-5-15(13)17/h3-5,12,18H,2,6-11H2,1H3
InChIKeyCJNLUPVZYWPIOF-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.81
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79715751) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79715751
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1c(Cl)cccc1Cl)CC1CCNCC1
InChIInChI=1S/C15H22Cl2N2/c1-2-19(10-12-6-8-18-9-7-12)11-13-14(16)4-3-5-15(13)17/h3-5,12,18H,2,6-11H2,1H3
InChIKeyCJNLUPVZYWPIOF-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715535
N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine
CID 86940190
N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 104816804
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-(2,6-dichlorophenyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929877
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 120858313
N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79982309
N-[(2-chloro-6-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715282
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
CID 79698350
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (CID 79715751) is N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is CCN(Cc1c(Cl)cccc1Cl)CC1CCNCC1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is CJNLUPVZYWPIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-2-19(10-12-6-8-18-9-7-12)11-13-14(16)4-3-5-15(13)17/h3-5,12,18H,2,6-11H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 301.26 g/mol, XLogP of 3.81, 5 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-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79715751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).