4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine

C15H21N5 — CID 110105773

IUPAC4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
SMILESCNc1cc(C2CCCN(Cc3cnc[nH]3)C2)ccn1
InChIInChI=1S/C15H21N5/c1-16-15-7-12(4-5-18-15)13-3-2-6-20(9-13)10-14-8-17-11-19-14/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeySUZQPSZYLGEKGB-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.23
Rot. Bonds4

About 4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine

4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine (PubChem CID 110105773) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
PubChem CID110105773
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
SMILESCNc1cc(C2CCCN(Cc3cnc[nH]3)C2)ccn1
InChIInChI=1S/C15H21N5/c1-16-15-7-12(4-5-18-15)13-3-2-6-20(9-13)10-14-8-17-11-19-14/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeySUZQPSZYLGEKGB-UHFFFAOYSA-N
XLogP2.23
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 125012536
N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124983076
N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 124997573
4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105848
N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110111426
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 124961678
N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 124995485
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 124999143
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 124952532
2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125022184
N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 110111840

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine (CID 110105773) is 4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine is CNc1cc(C2CCCN(Cc3cnc[nH]3)C2)ccn1.
What is the InChIKey of 4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine?
The InChIKey is SUZQPSZYLGEKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-16-15-7-12(4-5-18-15)13-3-2-6-20(9-13)10-14-8-17-11-19-14/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine?
4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine has a molecular weight of 271.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 110105773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).