N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine

C21H32N4 — CID 45228125

IUPACN-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine
SMILESCCCCc1ncc(CN2CCCC(N(C)Cc3ccccc3)C2)[nH]1
InChIInChI=1S/C21H32N4/c1-3-4-12-21-22-14-19(23-21)16-25-13-8-11-20(17-25)24(2)15-18-9-6-5-7-10-18/h5-7,9-10,14,20H,3-4,8,11-13,15-17H2,1-2H3,(H,22,23)
InChIKeyWYFXUANBAICZGS-UHFFFAOYSA-N
MW340.52 g/mol
LogP3.85
Rot. Bonds8

About N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine

N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine (PubChem CID 45228125) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine
PubChem CID45228125
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC NameN-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine
SMILESCCCCc1ncc(CN2CCCC(N(C)Cc3ccccc3)C2)[nH]1
InChIInChI=1S/C21H32N4/c1-3-4-12-21-22-14-19(23-21)16-25-13-8-11-20(17-25)24(2)15-18-9-6-5-7-10-18/h5-7,9-10,14,20H,3-4,8,11-13,15-17H2,1-2H3,(H,22,23)
InChIKeyWYFXUANBAICZGS-UHFFFAOYSA-N
XLogP3.85
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45205775
1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 110106399
(3R)-4-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-ethyl-1,4-diazepan-5-one
CID 95402715
2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole
CID 124956944
[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25274405
(3R)-N-benzyl-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 51635983
(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)piperidin-3-amine
CID 26393246
2-benzyl-7-[(2-butyl-1H-imidazol-5-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine
CID 163306292
(3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine
CID 72862184
1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine
CID 56906121
1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 45197583
N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
CID 66187288

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine (CID 45228125) is N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine is CCCCc1ncc(CN2CCCC(N(C)Cc3ccccc3)C2)[nH]1.
What is the InChIKey of N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is WYFXUANBAICZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-3-4-12-21-22-14-19(23-21)16-25-13-8-11-20(17-25)24(2)15-18-9-6-5-7-10-18/h5-7,9-10,14,20H,3-4,8,11-13,15-17H2,1-2H3,(H,22,23).
What are the key properties of N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine?
N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 340.52 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 45228125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).