[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine

C14H21ClN2O — CID 106585917

IUPAC[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
SMILESCOCC1CCCN(c2ccc(Cl)cc2CN)C1
InChIInChI=1S/C14H21ClN2O/c1-18-10-11-3-2-6-17(9-11)14-5-4-13(15)7-12(14)8-16/h4-5,7,11H,2-3,6,8-10,16H2,1H3
InChIKeyJJVGHIMDPJRUIN-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.66
Rot. Bonds4

About [5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine

[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine (PubChem CID 106585917) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
PubChem CID106585917
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
SMILESCOCC1CCCN(c2ccc(Cl)cc2CN)C1
InChIInChI=1S/C14H21ClN2O/c1-18-10-11-3-2-6-17(9-11)14-5-4-13(15)7-12(14)8-16/h4-5,7,11H,2-3,6,8-10,16H2,1H3
InChIKeyJJVGHIMDPJRUIN-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
CID 10586057
[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 107933095
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-2-amine
CID 114851794
[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112624254
[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
CID 106587897
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
[1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol
CID 63082651
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-1-amine
CID 114851804
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
1-[4-(chloromethyl)-2-fluorophenyl]-3-(methoxymethyl)piperidine
CID 106587689
N-[[5-chloro-2-(3-ethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114848465
1-[2-bromo-4-(chloromethyl)phenyl]-3-(methoxymethyl)piperidine
CID 114062586

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine?
The IUPAC name of [5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine (CID 106585917) is [5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine?
The canonical SMILES for [5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine is COCC1CCCN(c2ccc(Cl)cc2CN)C1.
What is the InChIKey of [5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine?
The InChIKey is JJVGHIMDPJRUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-18-10-11-3-2-6-17(9-11)14-5-4-13(15)7-12(14)8-16/h4-5,7,11H,2-3,6,8-10,16H2,1H3.
What are the key properties of [5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine?
[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine has a molecular weight of 268.79 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine is sourced from PubChem (CID 106585917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).