5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride

C14H18ClNO2 — CID 71743419

IUPAC5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride
SMILESCOc1ccc2c(c1)CC1(CCNCC1)C2=O.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-17-11-2-3-12-10(8-11)9-14(13(12)16)4-6-15-7-5-14;/h2-3,8,15H,4-7,9H2,1H3;1H
InChIKeyNFHFTNNABREQER-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.23
Rot. Bonds1

About 5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride

5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride (PubChem CID 71743419) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride.

Molecular Properties

Compound Name5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride
PubChem CID71743419
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride
SMILESCOc1ccc2c(c1)CC1(CCNCC1)C2=O.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-17-11-2-3-12-10(8-11)9-14(13(12)16)4-6-15-7-5-14;/h2-3,8,15H,4-7,9H2,1H3;1H
InChIKeyNFHFTNNABREQER-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride?
The IUPAC name of 5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride (CID 71743419) is 5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride.
What is the SMILES notation for 5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride?
The canonical SMILES for 5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride is COc1ccc2c(c1)CC1(CCNCC1)C2=O.Cl.
What is the InChIKey of 5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride?
The InChIKey is NFHFTNNABREQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c1-17-11-2-3-12-10(8-11)9-14(13(12)16)4-6-15-7-5-14;/h2-3,8,15H,4-7,9H2,1H3;1H.
What are the key properties of 5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride?
5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one;hydrochloride is sourced from PubChem (CID 71743419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).