N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine

C12H22N4 — CID 115033628

IUPACN-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1ccnc1NCC1CCNCC1
InChIInChI=1S/C12H22N4/c1-10(2)16-8-7-14-12(16)15-9-11-3-5-13-6-4-11/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyHAJZKRBSGNCTDQ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.88
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine

N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 115033628) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
PubChem CID115033628
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1ccnc1NCC1CCNCC1
InChIInChI=1S/C12H22N4/c1-10(2)16-8-7-14-12(16)15-9-11-3-5-13-6-4-11/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyHAJZKRBSGNCTDQ-UHFFFAOYSA-N
XLogP1.88
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106572421
N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 115033626
N-(1-propan-2-ylimidazol-2-yl)piperidin-4-amine
CID 115026071
4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine
CID 84734211
N-(cyclopropylmethyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106555195
N-(2-cyclohexylethyl)-1-propan-2-ylimidazol-2-amine
CID 106563351
N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106580111
N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine
CID 106581739
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581608
3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 79719529
1-tert-butyl-N-(2-piperidin-4-ylethyl)imidazol-2-amine
CID 115055136

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine (CID 115033628) is N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine is CC(C)n1ccnc1NCC1CCNCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is HAJZKRBSGNCTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)16-8-7-14-12(16)15-9-11-3-5-13-6-4-11/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,14,15).
What are the key properties of N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine?
N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 222.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 115033628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).