1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine

C16H25ClN2 — CID 79397876

IUPAC1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccccc2Cl)C(C)C1C
InChIInChI=1S/C16H25ClN2/c1-4-10-18-15-9-11-19(13(3)12(15)2)16-8-6-5-7-14(16)17/h5-8,12-13,15,18H,4,9-11H2,1-3H3
InChIKeyMTJAUASEAYWBEG-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.94
Rot. Bonds4

About 1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine

1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine (PubChem CID 79397876) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
PubChem CID79397876
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccccc2Cl)C(C)C1C
InChIInChI=1S/C16H25ClN2/c1-4-10-18-15-9-11-19(13(3)12(15)2)16-8-6-5-7-14(16)17/h5-8,12-13,15,18H,4,9-11H2,1-3H3
InChIKeyMTJAUASEAYWBEG-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine?
The IUPAC name of 1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine (CID 79397876) is 1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine is CCCNC1CCN(c2ccccc2Cl)C(C)C1C.
What is the InChIKey of 1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine?
The InChIKey is MTJAUASEAYWBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-10-18-15-9-11-19(13(3)12(15)2)16-8-6-5-7-14(16)17/h5-8,12-13,15,18H,4,9-11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine?
1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine has a molecular weight of 280.84 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 79397876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).