1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride

C14H21ClN2O — CID 43810428

IUPAC1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
SMILESCN1CCC2(CC1)CC(N)c1ccccc1O2.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-16-8-6-14(7-9-16)10-12(15)11-4-2-3-5-13(11)17-14;/h2-5,12H,6-10,15H2,1H3;1H
InChIKeyNNVNAJGCZFCILW-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.36
Rot. Bonds

About 1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride

1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride (PubChem CID 43810428) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride.

Molecular Properties

Compound Name1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
PubChem CID43810428
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
SMILESCN1CCC2(CC1)CC(N)c1ccccc1O2.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-16-8-6-14(7-9-16)10-12(15)11-4-2-3-5-13(11)17-14;/h2-5,12H,6-10,15H2,1H3;1H
InChIKeyNNVNAJGCZFCILW-UHFFFAOYSA-N
XLogP2.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride?
The IUPAC name of 1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride (CID 43810428) is 1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride.
What is the SMILES notation for 1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride?
The canonical SMILES for 1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride is CN1CCC2(CC1)CC(N)c1ccccc1O2.Cl.
What is the InChIKey of 1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride?
The InChIKey is NNVNAJGCZFCILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-16-8-6-14(7-9-16)10-12(15)11-4-2-3-5-13(11)17-14;/h2-5,12H,6-10,15H2,1H3;1H.
What are the key properties of 1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride?
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride is sourced from PubChem (CID 43810428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).