N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine

C19H28N4 — CID 45228567

IUPACN-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(Cc2nccn2C)C1
InChIInChI=1S/C19H28N4/c1-21(13-10-17-7-4-3-5-8-17)18-9-6-12-23(15-18)16-19-20-11-14-22(19)2/h3-5,7-8,11,14,18H,6,9-10,12-13,15-16H2,1-2H3
InChIKeyYCFGJUWCHRSHJE-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.56
Rot. Bonds6

About N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine

N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine (PubChem CID 45228567) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
PubChem CID45228567
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC NameN-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(Cc2nccn2C)C1
InChIInChI=1S/C19H28N4/c1-21(13-10-17-7-4-3-5-8-17)18-9-6-12-23(15-18)16-19-20-11-14-22(19)2/h3-5,7-8,11,14,18H,6,9-10,12-13,15-16H2,1-2H3
InChIKeyYCFGJUWCHRSHJE-UHFFFAOYSA-N
XLogP2.56
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45251588
N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine
CID 45189224
1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 45197583
1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole
CID 95595150
2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol
CID 45215252
3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 75515784
(3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 95539312
1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 45174783
N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide
CID 156834820
(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 51633849
(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 51633851
2-methyl-4-[5-[[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]thiophen-2-yl]but-3-yn-2-ol
CID 51633830

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine?
The IUPAC name of N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine (CID 45228567) is N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine is CN(CCc1ccccc1)C1CCCN(Cc2nccn2C)C1.
What is the InChIKey of N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine?
The InChIKey is YCFGJUWCHRSHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-21(13-10-17-7-4-3-5-8-17)18-9-6-12-23(15-18)16-19-20-11-14-22(19)2/h3-5,7-8,11,14,18H,6,9-10,12-13,15-16H2,1-2H3.
What are the key properties of N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine?
N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine has a molecular weight of 312.46 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine is sourced from PubChem (CID 45228567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).