(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine

C13H18N4 — CID 129366305

IUPAC(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
SMILESN[C@H]1CCCN(Cc2cn3ccccc3n2)C1
InChIInChI=1S/C13H18N4/c14-11-4-3-6-16(8-11)9-12-10-17-7-2-1-5-13(17)15-12/h1-2,5,7,10-11H,3-4,6,8-9,14H2/t11-/m0/s1
InChIKeyQHMHLVLAIGTQKA-NSHDSACASA-N
MW230.31 g/mol
LogP1.26
Rot. Bonds2

About (3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine

(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine (PubChem CID 129366305) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
PubChem CID129366305
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
SMILESN[C@H]1CCCN(Cc2cn3ccccc3n2)C1
InChIInChI=1S/C13H18N4/c14-11-4-3-6-16(8-11)9-12-10-17-7-2-1-5-13(17)15-12/h1-2,5,7,10-11H,3-4,6,8-9,14H2/t11-/m0/s1
InChIKeyQHMHLVLAIGTQKA-NSHDSACASA-N
XLogP1.26
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 94920556
1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910049
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 80677191
2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64859024
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpiperidin-3-yl]methanamine
CID 114959821
(3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119933721
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
[(2R)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62736748
2-[(3-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64833998
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholin-2-yl]ethanamine
CID 115314933

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine?
The IUPAC name of (3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine (CID 129366305) is (3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine is N[C@H]1CCCN(Cc2cn3ccccc3n2)C1.
What is the InChIKey of (3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine?
The InChIKey is QHMHLVLAIGTQKA-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4/c14-11-4-3-6-16(8-11)9-12-10-17-7-2-1-5-13(17)15-12/h1-2,5,7,10-11H,3-4,6,8-9,14H2/t11-/m0/s1.
What are the key properties of (3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine?
(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine has a molecular weight of 230.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 129366305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).