N-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine

C15H28N4O — CID 70764160

IUPACN-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine
SMILESCOCCCN(Cc1nc[nH]c1C)C1CCN(C)CC1
InChIInChI=1S/C15H28N4O/c1-13-15(17-12-16-13)11-19(7-4-10-20-3)14-5-8-18(2)9-6-14/h12,14H,4-11H2,1-3H3,(H,16,17)
InChIKeyWTZHOTPSLILUAW-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.65
Rot. Bonds7

About N-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine

N-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine (PubChem CID 70764160) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine
PubChem CID70764160
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine
SMILESCOCCCN(Cc1nc[nH]c1C)C1CCN(C)CC1
InChIInChI=1S/C15H28N4O/c1-13-15(17-12-16-13)11-19(7-4-10-20-3)14-5-8-18(2)9-6-14/h12,14H,4-11H2,1-3H3,(H,16,17)
InChIKeyWTZHOTPSLILUAW-UHFFFAOYSA-N
XLogP1.65
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 118740246
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N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine
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N-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylpropan-1-amine
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4-({1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}methyl)morpholine
CID 70716922
1-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}pyrrolidin-2-one
CID 74231333
N-methyl-2-{4-[(4-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}acetamide
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(2R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(2-methoxyethyl)piperidine
CID 95132690
(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 164642020
1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine
CID 174286758
N-methyl-3-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}butanamide
CID 50954861
N-ethyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 50956167

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine (CID 70764160) is N-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine is COCCCN(Cc1nc[nH]c1C)C1CCN(C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is WTZHOTPSLILUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-13-15(17-12-16-13)11-19(7-4-10-20-3)14-5-8-18(2)9-6-14/h12,14H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
N-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 280.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 70764160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).