N-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine

C17H32N4O — CID 56917427

IUPACN-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCOCCCN(Cc1cncn1C(C)C)C1CCN(C)CC1
InChIInChI=1S/C17H32N4O/c1-15(2)21-14-18-12-17(21)13-20(8-5-11-22-4)16-6-9-19(3)10-7-16/h12,14-16H,5-11,13H2,1-4H3
InChIKeyKSSAVAWSAPQEMC-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.40
Rot. Bonds8

About N-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine

N-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine (PubChem CID 56917427) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
PubChem CID56917427
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC NameN-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCOCCCN(Cc1cncn1C(C)C)C1CCN(C)CC1
InChIInChI=1S/C17H32N4O/c1-15(2)21-14-18-12-17(21)13-20(8-5-11-22-4)16-6-9-19(3)10-7-16/h12,14-16H,5-11,13H2,1-4H3
InChIKeyKSSAVAWSAPQEMC-UHFFFAOYSA-N
XLogP2.40
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine
CID 71716729
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinamine dihydrochloride
CID 56701558
7-(Oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
CID 97467018
7-(oxan-4-yl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467386
2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467462
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine
CID 97471136
1-(2-Methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97493559
N,N-dimethyl-1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine
CID 118739392
7-(Oxolan-3-yl)-3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
CID 118745773
N-ethyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]ethanamine
CID 118746023
4-[(3-Propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine
CID 56864764
2-[4-[(3-Propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 66153268

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine (CID 56917427) is N-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine is COCCCN(Cc1cncn1C(C)C)C1CCN(C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is KSSAVAWSAPQEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-15(2)21-14-18-12-17(21)13-20(8-5-11-22-4)16-6-9-19(3)10-7-16/h12,14-16H,5-11,13H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine?
N-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 308.47 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 56917427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).