1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine

C16H25ClN2O2 — CID 60861288

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(Cl)c(OC)cc2OC)CC1
InChIInChI=1S/C16H25ClN2O2/c1-4-7-18-12-5-8-19(9-6-12)14-10-13(17)15(20-2)11-16(14)21-3/h10-12,18H,4-9H2,1-3H3
InChIKeyVMUZVHAEVSVRLW-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.33
Rot. Bonds6

About 1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine

1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine (PubChem CID 60861288) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine
PubChem CID60861288
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(Cl)c(OC)cc2OC)CC1
InChIInChI=1S/C16H25ClN2O2/c1-4-7-18-12-5-8-19(9-6-12)14-10-13(17)15(20-2)11-16(14)21-3/h10-12,18H,4-9H2,1-3H3
InChIKeyVMUZVHAEVSVRLW-UHFFFAOYSA-N
XLogP3.33
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine (CID 60861288) is 1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine is CCCNC1CCN(c2cc(Cl)c(OC)cc2OC)CC1.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine?
The InChIKey is VMUZVHAEVSVRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-4-7-18-12-5-8-19(9-6-12)14-10-13(17)15(20-2)11-16(14)21-3/h10-12,18H,4-9H2,1-3H3.
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine?
1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine has a molecular weight of 312.84 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 60861288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).