N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride

C15H24Cl2N2O — CID 171620410

IUPACN-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCCOc1cccc(Cl)c1CNCC1CCNCC1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-2-19-15-5-3-4-14(16)13(15)11-18-10-12-6-8-17-9-7-12;/h3-5,12,17-18H,2,6-11H2,1H3;1H
InChIKeyXFRYOKQCMWZPSU-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.25
Rot. Bonds6

About N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride

N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171620410) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171620410
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC NameN-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCCOc1cccc(Cl)c1CNCC1CCNCC1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-2-19-15-5-3-4-14(16)13(15)11-18-10-12-6-8-17-9-7-12;/h3-5,12,17-18H,2,6-11H2,1H3;1H
InChIKeyXFRYOKQCMWZPSU-UHFFFAOYSA-N
XLogP3.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
CID 171620349
N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 171620321
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115634960
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-piperidin-4-ylmethanamine
CID 66537524
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 171620401
N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
CID 90664483
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 66538332
3-chloro-4-ethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79707140
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17159542
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[[2-chloro-6-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320108

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride (CID 171620410) is N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride is CCOc1cccc(Cl)c1CNCC1CCNCC1.Cl.
What is the InChIKey of N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is XFRYOKQCMWZPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O.ClH/c1-2-19-15-5-3-4-14(16)13(15)11-18-10-12-6-8-17-9-7-12;/h3-5,12,17-18H,2,6-11H2,1H3;1H.
What are the key properties of N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride?
N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 319.28 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171620410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).