[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine

C14H21ClN2O — CID 55179828

IUPAC[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1OCCN1CCCCC1
InChIInChI=1S/C14H21ClN2O/c15-13-5-4-12(11-16)14(10-13)18-9-8-17-6-2-1-3-7-17/h4-5,10H,1-3,6-9,11,16H2
InChIKeyWCVPWRMAENOIPE-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.66
Rot. Bonds5

About [4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine

[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine (PubChem CID 55179828) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine
PubChem CID55179828
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1OCCN1CCCCC1
InChIInChI=1S/C14H21ClN2O/c15-13-5-4-12(11-16)14(10-13)18-9-8-17-6-2-1-3-7-17/h4-5,10H,1-3,6-9,11,16H2
InChIKeyWCVPWRMAENOIPE-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

[4-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 114322345
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine
CID 59327262
1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
CID 54928974
[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60878304
[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
4-fluoro-3-(2-piperidin-1-ylethoxy)aniline
CID 139983014
2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 63325127
[4-chloro-2-(2-propoxyethoxy)phenyl]methanamine
CID 63686142
[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559812
1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
CID 2263109

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine?
The IUPAC name of [4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine (CID 55179828) is [4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine is NCc1ccc(Cl)cc1OCCN1CCCCC1.
What is the InChIKey of [4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine?
The InChIKey is WCVPWRMAENOIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c15-13-5-4-12(11-16)14(10-13)18-9-8-17-6-2-1-3-7-17/h4-5,10H,1-3,6-9,11,16H2.
What are the key properties of [4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine?
[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine has a molecular weight of 268.79 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 55179828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).