N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine

C14H21ClN2O — CID 115209649

IUPACN-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
SMILESCOc1ccc(CNCC2CCCNC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-18-13-5-4-12(14(15)7-13)10-17-9-11-3-2-6-16-8-11/h4-5,7,11,16-17H,2-3,6,8-10H2,1H3
InChIKeyLSAGSUUZZGFXML-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.44
Rot. Bonds5

About N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine

N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine (PubChem CID 115209649) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
PubChem CID115209649
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
SMILESCOc1ccc(CNCC2CCCNC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-18-13-5-4-12(14(15)7-13)10-17-9-11-3-2-6-16-8-11/h4-5,7,11,16-17H,2-3,6,8-10H2,1H3
InChIKeyLSAGSUUZZGFXML-UHFFFAOYSA-N
XLogP2.44
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208780
2-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208589
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 115158872
3-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018540
N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 115208923
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine (CID 115209649) is N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine is COc1ccc(CNCC2CCCNC2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine?
The InChIKey is LSAGSUUZZGFXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-18-13-5-4-12(14(15)7-13)10-17-9-11-3-2-6-16-8-11/h4-5,7,11,16-17H,2-3,6,8-10H2,1H3.
What are the key properties of N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine?
N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 115209649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).