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

C16H25ClN2 — CID 55132087

IUPAC1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
SMILESCCCC1CCN(c2ccc(C(C)N)cc2Cl)CC1
InChIInChI=1S/C16H25ClN2/c1-3-4-13-7-9-19(10-8-13)16-6-5-14(12(2)18)11-15(16)17/h5-6,11-13H,3-4,7-10,18H2,1-2H3
InChIKeyLXGFBPLZXNFFCP-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.38
Rot. Bonds4

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

1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 55132087) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
PubChem CID55132087
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
SMILESCCCC1CCN(c2ccc(C(C)N)cc2Cl)CC1
InChIInChI=1S/C16H25ClN2/c1-3-4-13-7-9-19(10-8-13)16-6-5-14(12(2)18)11-15(16)17/h5-6,11-13H,3-4,7-10,18H2,1-2H3
InChIKeyLXGFBPLZXNFFCP-UHFFFAOYSA-N
XLogP4.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine (CID 55132087) is 1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine is CCCC1CCN(c2ccc(C(C)N)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is LXGFBPLZXNFFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-4-13-7-9-19(10-8-13)16-6-5-14(12(2)18)11-15(16)17/h5-6,11-13H,3-4,7-10,18H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine?
1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 280.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 55132087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).