1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine

C15H23ClN2O — CID 114860582

IUPAC1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine
SMILESCOC1CCN(c2ccc(Cl)cc2CC(C)N)CC1
InChIInChI=1S/C15H23ClN2O/c1-11(17)9-12-10-13(16)3-4-15(12)18-7-5-14(19-2)6-8-18/h3-4,10-11,14H,5-9,17H2,1-2H3
InChIKeyYDEFBPDYUZKRTP-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.84
Rot. Bonds4

About 1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine

1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine (PubChem CID 114860582) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine
PubChem CID114860582
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine
SMILESCOC1CCN(c2ccc(Cl)cc2CC(C)N)CC1
InChIInChI=1S/C15H23ClN2O/c1-11(17)9-12-10-13(16)3-4-15(12)18-7-5-14(19-2)6-8-18/h3-4,10-11,14H,5-9,17H2,1-2H3
InChIKeyYDEFBPDYUZKRTP-UHFFFAOYSA-N
XLogP2.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(chloromethyl)phenyl]-4-methoxypiperidine
CID 114846387
1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine
CID 114860423
[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine
CID 63082823
1-[5-chloro-2-(4-propylpiperazin-1-yl)phenyl]propan-2-amine
CID 114860414
1-[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63794163
1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine
CID 102746332
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 102968817
N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 103535772
1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine
CID 117374676
1-[2-(bromomethyl)-5-chlorophenyl]-3-methoxypyrrolidine
CID 107085598
N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114848126
1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114862200

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine (CID 114860582) is 1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine is COC1CCN(c2ccc(Cl)cc2CC(C)N)CC1.
What is the InChIKey of 1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine?
The InChIKey is YDEFBPDYUZKRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(17)9-12-10-13(16)3-4-15(12)18-7-5-14(19-2)6-8-18/h3-4,10-11,14H,5-9,17H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine?
1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine has a molecular weight of 282.81 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 114860582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).