N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine

C19H24ClN2O+ — CID 7366693

IUPACN-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine
SMILESCOc1ccccc1C[NH+]1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H23ClN2O/c1-23-19-9-5-2-6-15(19)14-22-12-10-16(11-13-22)21-18-8-4-3-7-17(18)20/h2-9,16,21H,10-14H2,1H3/p+1
InChIKeyLNQQZWAZHLMTPC-UHFFFAOYSA-O
MW331.87 g/mol
LogP3.01
Rot. Bonds5

About N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine

N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine (PubChem CID 7366693) has the molecular formula C19H24ClN2O+ and a molecular weight of 331.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine
PubChem CID7366693
Molecular FormulaC19H24ClN2O+
Molecular Weight331.87 g/mol
Exact Mass331.16
IUPAC NameN-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine
SMILESCOc1ccccc1C[NH+]1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H23ClN2O/c1-23-19-9-5-2-6-15(19)14-22-12-10-16(11-13-22)21-18-8-4-3-7-17(18)20/h2-9,16,21H,10-14H2,1H3/p+1
InChIKeyLNQQZWAZHLMTPC-UHFFFAOYSA-O
XLogP3.01
TPSA25.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium
CID 7321439
N-(2-chlorophenyl)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-amine
CID 7370782
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451
1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium
CID 6941527
2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43633569
4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027455
N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine
CID 7370784
1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7101671
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
1-[(2-chlorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755120
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
1-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium
CID 4743046

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine?
The IUPAC name of N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine (CID 7366693) is N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine is COc1ccccc1C[NH+]1CCC(Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine?
The InChIKey is LNQQZWAZHLMTPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23ClN2O/c1-23-19-9-5-2-6-15(19)14-22-12-10-16(11-13-22)21-18-8-4-3-7-17(18)20/h2-9,16,21H,10-14H2,1H3/p+1.
What are the key properties of N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine?
N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine has a molecular weight of 331.87 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine is sourced from PubChem (CID 7366693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).