N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

C15H23ClN2 — CID 79715535

IUPACN-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccccc1Cl)CC1CCNCC1
InChIInChI=1S/C15H23ClN2/c1-2-18(11-13-7-9-17-10-8-13)12-14-5-3-4-6-15(14)16/h3-6,13,17H,2,7-12H2,1H3
InChIKeyHJZBNIRVTUWSIX-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.16
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79715535) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79715535
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccccc1Cl)CC1CCNCC1
InChIInChI=1S/C15H23ClN2/c1-2-18(11-13-7-9-17-10-8-13)12-14-5-3-4-6-15(14)16/h3-6,13,17H,2,7-12H2,1H3
InChIKeyHJZBNIRVTUWSIX-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 120858313
N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79982309
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
CID 139020937
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717050
N-(2,6-dichlorophenyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929877
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639291
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (CID 79715535) is N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is CCN(Cc1ccccc1Cl)CC1CCNCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is HJZBNIRVTUWSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-18(11-13-7-9-17-10-8-13)12-14-5-3-4-6-15(14)16/h3-6,13,17H,2,7-12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79715535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).