N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine

C19H28N4 — CID 95896839

IUPACN,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine
SMILESCN(C)Cc1ccc([C@@H]2CCCCN2Cc2cnn(C)c2)cc1
InChIInChI=1S/C19H28N4/c1-21(2)13-16-7-9-18(10-8-16)19-6-4-5-11-23(19)15-17-12-20-22(3)14-17/h7-10,12,14,19H,4-6,11,13,15H2,1-3H3/t19-/m0/s1
InChIKeyPNWAHIGZUMRKHG-IBGZPJMESA-N
MW312.46 g/mol
LogP3.21
Rot. Bonds5

About N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine

N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine (PubChem CID 95896839) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine
PubChem CID95896839
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC NameN,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine
SMILESCN(C)Cc1ccc([C@@H]2CCCCN2Cc2cnn(C)c2)cc1
InChIInChI=1S/C19H28N4/c1-21(2)13-16-7-9-18(10-8-16)19-6-4-5-11-23(19)15-17-12-20-22(3)14-17/h7-10,12,14,19H,4-6,11,13,15H2,1-3H3/t19-/m0/s1
InChIKeyPNWAHIGZUMRKHG-IBGZPJMESA-N
XLogP3.21
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine
CID 110116680
1-[4-[[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 95724830
5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 56895270
N,N-dimethyl-1-[4-[1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]phenyl]methanamine
CID 77080810
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
1-methyl-4-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 95841750
N,N-dimethyl-1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]phenyl]methanamine;formic acid
CID 154914569
3-methyl-5-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]-1,2-oxazole
CID 92554050
2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129473203
3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]-1,2-oxazole
CID 92554049
N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine
CID 95729302

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine (CID 95896839) is N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine is CN(C)Cc1ccc([C@@H]2CCCCN2Cc2cnn(C)c2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine?
The InChIKey is PNWAHIGZUMRKHG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N4/c1-21(2)13-16-7-9-18(10-8-16)19-6-4-5-11-23(19)15-17-12-20-22(3)14-17/h7-10,12,14,19H,4-6,11,13,15H2,1-3H3/t19-/m0/s1.
What are the key properties of N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine?
N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine has a molecular weight of 312.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine is sourced from PubChem (CID 95896839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).