4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine

C19H24ClN — CID 142119483

IUPAC4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine
SMILESC=C1C=C(C)c2cc(Cl)ccc2C(C2CCNCC2)C1C
InChIInChI=1S/C19H24ClN/c1-12-10-13(2)18-11-16(20)4-5-17(18)19(14(12)3)15-6-8-21-9-7-15/h4-5,10-11,14-15,19,21H,1,6-9H2,2-3H3
InChIKeyHQKLIIQTCCGNKK-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.03
Rot. Bonds1

About 4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine

4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine (PubChem CID 142119483) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine.

Molecular Properties

Compound Name4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine
PubChem CID142119483
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine
SMILESC=C1C=C(C)c2cc(Cl)ccc2C(C2CCNCC2)C1C
InChIInChI=1S/C19H24ClN/c1-12-10-13(2)18-11-16(20)4-5-17(18)19(14(12)3)15-6-8-21-9-7-15/h4-5,10-11,14-15,19,21H,1,6-9H2,2-3H3
InChIKeyHQKLIIQTCCGNKK-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine?
The IUPAC name of 4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine (CID 142119483) is 4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine.
What is the SMILES notation for 4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine?
The canonical SMILES for 4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine is C=C1C=C(C)c2cc(Cl)ccc2C(C2CCNCC2)C1C.
What is the InChIKey of 4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine?
The InChIKey is HQKLIIQTCCGNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-12-10-13(2)18-11-16(20)4-5-17(18)19(14(12)3)15-6-8-21-9-7-15/h4-5,10-11,14-15,19,21H,1,6-9H2,2-3H3.
What are the key properties of 4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine?
4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine has a molecular weight of 301.86 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6,9-dimethyl-7-methylidene-5,6-dihydrobenzo[7]annulen-5-yl)piperidine is sourced from PubChem (CID 142119483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).