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

C15H21ClN2 — CID 81300742

IUPACN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2Cc3ccc(Cl)cc3C2)CC1
InChIInChI=1S/C15H21ClN2/c1-18-6-4-14(5-7-18)17-15-9-11-2-3-13(16)8-12(11)10-15/h2-3,8,14-15,17H,4-7,9-10H2,1H3
InChIKeyNAMXIFLKHNAOAR-UHFFFAOYSA-N
MW264.80 g/mol
LogP2.49
Rot. Bonds2

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

N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-methylpiperidin-4-amine (PubChem CID 81300742) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-methylpiperidin-4-amine
PubChem CID81300742
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2Cc3ccc(Cl)cc3C2)CC1
InChIInChI=1S/C15H21ClN2/c1-18-6-4-14(5-7-18)17-15-9-11-2-3-13(16)8-12(11)10-15/h2-3,8,14-15,17H,4-7,9-10H2,1H3
InChIKeyNAMXIFLKHNAOAR-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 52.49
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-methylpiperidin-4-amine?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-methylpiperidin-4-amine (CID 81300742) is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-methylpiperidin-4-amine is CN1CCC(NC2Cc3ccc(Cl)cc3C2)CC1.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-methylpiperidin-4-amine?
The InChIKey is NAMXIFLKHNAOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-18-6-4-14(5-7-18)17-15-9-11-2-3-13(16)8-12(11)10-15/h2-3,8,14-15,17H,4-7,9-10H2,1H3.
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-methylpiperidin-4-amine?
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-methylpiperidin-4-amine has a molecular weight of 264.80 g/mol, XLogP of 2.49, 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-methylpiperidin-4-amine is sourced from PubChem (CID 81300742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).