(2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine

C17H24N4 — CID 96564285

IUPAC(2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine
SMILESC[C@@H]1C[C@H](NCc2ncc[nH]2)CCN1Cc1ccccc1
InChIInChI=1S/C17H24N4/c1-14-11-16(20-12-17-18-8-9-19-17)7-10-21(14)13-15-5-3-2-4-6-15/h2-6,8-9,14,16,20H,7,10-13H2,1H3,(H,18,19)/t14-,16-/m1/s1
InChIKeyMZSLYYFQKYPXIQ-GDBMZVCRSA-N
MW284.41 g/mol
LogP2.55
Rot. Bonds5

About (2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine

(2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine (PubChem CID 96564285) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is (2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine
PubChem CID96564285
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name(2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine
SMILESC[C@@H]1C[C@H](NCc2ncc[nH]2)CCN1Cc1ccccc1
InChIInChI=1S/C17H24N4/c1-14-11-16(20-12-17-18-8-9-19-17)7-10-21(14)13-15-5-3-2-4-6-15/h2-6,8-9,14,16,20H,7,10-13H2,1H3,(H,18,19)/t14-,16-/m1/s1
InChIKeyMZSLYYFQKYPXIQ-GDBMZVCRSA-N
XLogP2.55
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dibenzyl-2-methylpiperidin-4-amine
CID 119029011
8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 119128786
(2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 96533537
(1-benzyl-2-methylpiperidin-4-yl)cyanamide
CID 130964411
[5-[[(1-benzyl-2-methylpiperidin-4-yl)amino]methyl]furan-2-yl]methanol
CID 71975811
tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107095228
1-tert-butyl-N-(1H-imidazol-2-ylmethyl)piperidin-4-amine
CID 54976574
N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63823265
2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
CID 124692107
1-amino-3-(1-benzyl-2-methylpiperidin-4-yl)thiourea
CID 130834689
1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea
CID 71923796
N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine
CID 65078294

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine?
The IUPAC name of (2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine (CID 96564285) is (2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine.
What is the SMILES notation for (2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine?
The canonical SMILES for (2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine is C[C@@H]1C[C@H](NCc2ncc[nH]2)CCN1Cc1ccccc1.
What is the InChIKey of (2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine?
The InChIKey is MZSLYYFQKYPXIQ-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-11-16(20-12-17-18-8-9-19-17)7-10-21(14)13-15-5-3-2-4-6-15/h2-6,8-9,14,16,20H,7,10-13H2,1H3,(H,18,19)/t14-,16-/m1/s1.
What are the key properties of (2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine?
(2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine is sourced from PubChem (CID 96564285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).