N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine

C16H23ClN2 — CID 81343630

IUPACN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NC2Cc3ccc(Cl)cc3C2)CCN1C
InChIInChI=1S/C16H23ClN2/c1-11-7-15(5-6-19(11)2)18-16-9-12-3-4-14(17)8-13(12)10-16/h3-4,8,11,15-16,18H,5-7,9-10H2,1-2H3
InChIKeyHAHRXDRRSODJHH-UHFFFAOYSA-N
MW278.83 g/mol
LogP2.88
Rot. Bonds2

About N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine

N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine (PubChem CID 81343630) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine
PubChem CID81343630
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NC2Cc3ccc(Cl)cc3C2)CCN1C
InChIInChI=1S/C16H23ClN2/c1-11-7-15(5-6-19(11)2)18-16-9-12-3-4-14(17)8-13(12)10-16/h3-4,8,11,15-16,18H,5-7,9-10H2,1-2H3
InChIKeyHAHRXDRRSODJHH-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine (CID 81343630) is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine is CC1CC(NC2Cc3ccc(Cl)cc3C2)CCN1C.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine?
The InChIKey is HAHRXDRRSODJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-11-7-15(5-6-19(11)2)18-16-9-12-3-4-14(17)8-13(12)10-16/h3-4,8,11,15-16,18H,5-7,9-10H2,1-2H3.
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine?
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine has a molecular weight of 278.83 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81343630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).