N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride

C15H23Cl3N2O — CID 171620349

IUPACN-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCCOc1cc(Cl)c(Cl)cc1CNCC1CCNCC1.Cl
InChIInChI=1S/C15H22Cl2N2O.ClH/c1-2-20-15-8-14(17)13(16)7-12(15)10-19-9-11-3-5-18-6-4-11;/h7-8,11,18-19H,2-6,9-10H2,1H3;1H
InChIKeyHPTIMEHHEBUKSP-UHFFFAOYSA-N
MW353.72 g/mol
LogP3.90
Rot. Bonds6

About N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride

N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171620349) has the molecular formula C15H23Cl3N2O and a molecular weight of 353.72 g/mol. Its IUPAC name is N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171620349
Molecular FormulaC15H23Cl3N2O
Molecular Weight353.72 g/mol
Exact Mass352.09
IUPAC NameN-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCCOc1cc(Cl)c(Cl)cc1CNCC1CCNCC1.Cl
InChIInChI=1S/C15H22Cl2N2O.ClH/c1-2-20-15-8-14(17)13(16)7-12(15)10-19-9-11-3-5-18-6-4-11;/h7-8,11,18-19H,2-6,9-10H2,1H3;1H
InChIKeyHPTIMEHHEBUKSP-UHFFFAOYSA-N
XLogP3.90
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.72
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 171620321
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-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 66538332
N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
CID 171620410
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17159542
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620346
2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride
CID 171620485
N-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620403
3-chloro-4-ethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79707140
N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine;hydrochloride
CID 171620502
N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane
CID 171620367

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride (CID 171620349) is N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride is CCOc1cc(Cl)c(Cl)cc1CNCC1CCNCC1.Cl.
What is the InChIKey of N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is HPTIMEHHEBUKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O.ClH/c1-2-20-15-8-14(17)13(16)7-12(15)10-19-9-11-3-5-18-6-4-11;/h7-8,11,18-19H,2-6,9-10H2,1H3;1H.
What are the key properties of N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride?
N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 353.72 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171620349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).