1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine

C19H28N4 — CID 56701602

IUPAC1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine
SMILESCCN1CCCC(CN(C)Cc2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C19H28N4/c1-3-22-11-4-5-18(15-22)14-21(2)13-17-6-8-19(9-7-17)23-12-10-20-16-23/h6-10,12,16,18H,3-5,11,13-15H2,1-2H3
InChIKeyXRIGDZOUGMEWIL-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.04
Rot. Bonds6

About 1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine

1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine (PubChem CID 56701602) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine
PubChem CID56701602
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine
SMILESCCN1CCCC(CN(C)Cc2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C19H28N4/c1-3-22-11-4-5-18(15-22)14-21(2)13-17-6-8-19(9-7-17)23-12-10-20-16-23/h6-10,12,16,18H,3-5,11,13-15H2,1-2H3
InChIKeyXRIGDZOUGMEWIL-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42100663
2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728732
1-(1-ethylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 166673507
N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 78821034
N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 166180627
N-[(1-ethylimidazol-2-yl)methyl]-1-[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42517995
1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42522169
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078
N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615452
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
methyl 2-[(4-imidazol-1-ylphenyl)methyl-methylamino]acetate
CID 60698042
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine (CID 56701602) is 1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine is CCN1CCCC(CN(C)Cc2ccc(-n3ccnc3)cc2)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine?
The InChIKey is XRIGDZOUGMEWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-3-22-11-4-5-18(15-22)14-21(2)13-17-6-8-19(9-7-17)23-12-10-20-16-23/h6-10,12,16,18H,3-5,11,13-15H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine?
1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine has a molecular weight of 312.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 56701602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).