N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine

C14H21ClN2O — CID 65026309

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
SMILESCOc1ccc(CN(C)C2CCCNC2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-17(12-4-3-7-16-9-12)10-11-5-6-14(18-2)13(15)8-11/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3
InChIKeyYMJOXYUVGSKZTE-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.53
Rot. Bonds4

About N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine

N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine (PubChem CID 65026309) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
PubChem CID65026309
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
SMILESCOc1ccc(CN(C)C2CCCNC2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-17(12-4-3-7-16-9-12)10-11-5-6-14(18-2)13(15)8-11/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3
InChIKeyYMJOXYUVGSKZTE-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106817825
N-[(3-chloro-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625030
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-3-amine
CID 63643908
2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 55249893
N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine
CID 21435419
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 63298131
N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643681
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol
CID 63637767

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine (CID 65026309) is N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine is COc1ccc(CN(C)C2CCCNC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is YMJOXYUVGSKZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17(12-4-3-7-16-9-12)10-11-5-6-14(18-2)13(15)8-11/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine?
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 268.79 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 65026309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).