N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C20H28N4 — CID 129472996

IUPACN-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESc1cn2c(n1)CC[C@@H](CNCc1ccc(N3CCCCC3)cc1)C2
InChIInChI=1S/C20H28N4/c1-2-11-23(12-3-1)19-7-4-17(5-8-19)14-21-15-18-6-9-20-22-10-13-24(20)16-18/h4-5,7-8,10,13,18,21H,1-3,6,9,11-12,14-16H2/t18-/m0/s1
InChIKeyCCVFKPNLXGSYJZ-SFHVURJKSA-N
MW324.47 g/mol
LogP3.23
Rot. Bonds5

About N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129472996) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129472996
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESc1cn2c(n1)CC[C@@H](CNCc1ccc(N3CCCCC3)cc1)C2
InChIInChI=1S/C20H28N4/c1-2-11-23(12-3-1)19-7-4-17(5-8-19)14-21-15-18-6-9-20-22-10-13-24(20)16-18/h4-5,7-8,10,13,18,21H,1-3,6,9,11-12,14-16H2/t18-/m0/s1
InChIKeyCCVFKPNLXGSYJZ-SFHVURJKSA-N
XLogP3.23
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylpyrrolidin-3-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 60855756
4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid
CID 122020581
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 128992936
1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 129474085
1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 129474083
N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-[3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 71560449
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129474044
N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129342633
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)propan-2-amine
CID 131134209
3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699820
N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129475227
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129475985

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129472996) is N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is c1cn2c(n1)CC[C@@H](CNCc1ccc(N3CCCCC3)cc1)C2.
What is the InChIKey of N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is CCVFKPNLXGSYJZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N4/c1-2-11-23(12-3-1)19-7-4-17(5-8-19)14-21-15-18-6-9-20-22-10-13-24(20)16-18/h4-5,7-8,10,13,18,21H,1-3,6,9,11-12,14-16H2/t18-/m0/s1.
What are the key properties of N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 324.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129472996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).