N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine

C21H30N4 — CID 134079367

IUPACN,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine
SMILESCN(C)C1CCC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21
InChIInChI=1S/C21H30N4/c1-23(2)20-8-9-21(19-7-5-4-6-18(19)20)10-12-25(13-11-21)16-17-14-22-24(3)15-17/h4-7,14-15,20H,8-13,16H2,1-3H3
InChIKeyBEFWSAGOVZITMU-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.35
Rot. Bonds3

About N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine

N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine (PubChem CID 134079367) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine
PubChem CID134079367
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC NameN,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine
SMILESCN(C)C1CCC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21
InChIInChI=1S/C21H30N4/c1-23(2)20-8-9-21(19-7-5-4-6-18(19)20)10-12-25(13-11-21)16-17-14-22-24(3)15-17/h4-7,14-15,20H,8-13,16H2,1-3H3
InChIKeyBEFWSAGOVZITMU-UHFFFAOYSA-N
XLogP3.35
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 97400469
N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine
CID 175972405
N,N-dimethyl-1'-propylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine
CID 134074302
N,N-dimethyl-2-[8-[(1-methylpyrazol-4-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97449772
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 134078054
4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
(3S)-3-(2-methylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 95872001
N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374880
N-(cyclopropylmethyl)-2-[(4R)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376210
N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide
CID 58033820
1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
CID 45205063
4-[[2-[(3R)-1-acetylpiperidin-3-yl]phenyl]methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 95832530

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine?
The IUPAC name of N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine (CID 134079367) is N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine.
What is the SMILES notation for N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine?
The canonical SMILES for N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine is CN(C)C1CCC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21.
What is the InChIKey of N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine?
The InChIKey is BEFWSAGOVZITMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-23(2)20-8-9-21(19-7-5-4-6-18(19)20)10-12-25(13-11-21)16-17-14-22-24(3)15-17/h4-7,14-15,20H,8-13,16H2,1-3H3.
What are the key properties of N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine?
N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine has a molecular weight of 338.50 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine is sourced from PubChem (CID 134079367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).