N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine

C12H20N4 — CID 115616302

IUPACN-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NCc2cnc[nH]2)CC1
InChIInChI=1S/C12H20N4/c1-2-5-16-6-3-11(4-7-16)14-9-12-8-13-10-15-12/h2,8,10-11,14H,1,3-7,9H2,(H,13,15)
InChIKeyIQRFAFFMYWBFOJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.15
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine

N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine (PubChem CID 115616302) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine
PubChem CID115616302
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NCc2cnc[nH]2)CC1
InChIInChI=1S/C12H20N4/c1-2-5-16-6-3-11(4-7-16)14-9-12-8-13-10-15-12/h2,8,10-11,14H,1,3-7,9H2,(H,13,15)
InChIKeyIQRFAFFMYWBFOJ-UHFFFAOYSA-N
XLogP1.15
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-(Cyclohexylamino)ethyl)-1H-imidazole
CID 12647300
1-[5-(1H-imidazol-5-yl)pentyl]piperidine
CID 11622672
1-[4-(1H-imidazol-5-yl)butyl]piperidine
CID 11629829
2-(Piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 57786821
(1H-imidazol-4-ylmethyl)(methyl)amine
CID 20675588
(1H-Imidazol-4-yl)methanamine hydrochloride
CID 45791344
((1-methyl-1H-imidazol-5-yl)methyl)(propan-2-yl)amine
CID 59237459
2-(1H-imidazol-5-ylmethyl)guanidine
CID 44331454
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinamine dihydrochloride
CID 56701558
1-(Cyclopropylmethyl)-4-(1H-imidazol-4-ylmethyl)-2-isopropyl-1,4-diazepane
CID 56872195
1-[(1H-Imidazol-4-yl)methyl]piperazine
CID 9793928
5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole
CID 9834003

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine (CID 115616302) is N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine is C=CCN1CCC(NCc2cnc[nH]2)CC1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine?
The InChIKey is IQRFAFFMYWBFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-5-16-6-3-11(4-7-16)14-9-12-8-13-10-15-12/h2,8,10-11,14H,1,3-7,9H2,(H,13,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine?
N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 115616302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).