(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine

C14H21ClN2 — CID 78935727

IUPAC(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCCN(c2ccc([C@@H](C)N)cc2Cl)C1
InChIInChI=1S/C14H21ClN2/c1-10-4-3-7-17(9-10)14-6-5-12(11(2)16)8-13(14)15/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3/t10?,11-/m1/s1
InChIKeyUJXVWWBICGDKGY-RRKGBCIJSA-N
MW252.79 g/mol
LogP3.60
Rot. Bonds2

About (1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine

(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 78935727) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
PubChem CID78935727
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCCN(c2ccc([C@@H](C)N)cc2Cl)C1
InChIInChI=1S/C14H21ClN2/c1-10-4-3-7-17(9-10)14-6-5-12(11(2)16)8-13(14)15/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3/t10?,11-/m1/s1
InChIKeyUJXVWWBICGDKGY-RRKGBCIJSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide
CID 78936080
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 81165910
1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 62909542
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103196348
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 55190288
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
(1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
CID 63368798
1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 82971938
(1S)-1-[3-bromo-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63624095

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine (CID 78935727) is (1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine is CC1CCCN(c2ccc([C@@H](C)N)cc2Cl)C1.
What is the InChIKey of (1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is UJXVWWBICGDKGY-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-4-3-7-17(9-10)14-6-5-12(11(2)16)8-13(14)15/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine?
(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78935727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).