(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine

C13H19ClN2O — CID 102977398

IUPAC(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(CCOc2ccccc2Cl)C1
InChIInChI=1S/C13H19ClN2O/c14-12-5-1-2-6-13(12)17-9-8-16-7-3-4-11(15)10-16/h1-2,5-6,11H,3-4,7-10,15H2/t11-/m1/s1
InChIKeyFHRVVTJADYJPRJ-LLVKDONJSA-N
MW254.76 g/mol
LogP2.14
Rot. Bonds4

About (3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine

(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine (PubChem CID 102977398) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
PubChem CID102977398
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(CCOc2ccccc2Cl)C1
InChIInChI=1S/C13H19ClN2O/c14-12-5-1-2-6-13(12)17-9-8-16-7-3-4-11(15)10-16/h1-2,5-6,11H,3-4,7-10,15H2/t11-/m1/s1
InChIKeyFHRVVTJADYJPRJ-LLVKDONJSA-N
XLogP2.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-amine;hydrochloride
CID 119910302
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978835
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010
1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86869685
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
CID 99930601
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
1-(2-naphthalen-1-yloxyethyl)pyrrolidin-3-amine
CID 71151906
1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
CID 2059007
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39364417

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine (CID 102977398) is (3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine is N[C@@H]1CCCN(CCOc2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine?
The InChIKey is FHRVVTJADYJPRJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-12-5-1-2-6-13(12)17-9-8-16-7-3-4-11(15)10-16/h1-2,5-6,11H,3-4,7-10,15H2/t11-/m1/s1.
What are the key properties of (3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine?
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine has a molecular weight of 254.76 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 102977398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).