N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine

C20H24N4 — CID 166362988

IUPACN-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine
SMILESc1ccc(CN2CCCC(CNc3nccn4cccc34)C2)cc1
InChIInChI=1S/C20H24N4/c1-2-6-17(7-3-1)15-23-11-4-8-18(16-23)14-22-20-19-9-5-12-24(19)13-10-21-20/h1-3,5-7,9-10,12-13,18H,4,8,11,14-16H2,(H,21,22)
InChIKeyHNPQSAWGMFGBTB-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.66
Rot. Bonds5

About N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine

N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine (PubChem CID 166362988) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine
PubChem CID166362988
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine
SMILESc1ccc(CN2CCCC(CNc3nccn4cccc34)C2)cc1
InChIInChI=1S/C20H24N4/c1-2-6-17(7-3-1)15-23-11-4-8-18(16-23)14-22-20-19-9-5-12-24(19)13-10-21-20/h1-3,5-7,9-10,12-13,18H,4,8,11,14-16H2,(H,21,22)
InChIKeyHNPQSAWGMFGBTB-UHFFFAOYSA-N
XLogP3.66
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide
CID 154740686
3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid
CID 71766726
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
(3R)-1-benzyl-3-(3-chloropropyl)piperidine
CID 97166703
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440
5-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 154757683
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]thian-4-amine
CID 95143520
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95243924

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine?
The IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine (CID 166362988) is N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine.
What is the SMILES notation for N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine?
The canonical SMILES for N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine is c1ccc(CN2CCCC(CNc3nccn4cccc34)C2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine?
The InChIKey is HNPQSAWGMFGBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-2-6-17(7-3-1)15-23-11-4-8-18(16-23)14-22-20-19-9-5-12-24(19)13-10-21-20/h1-3,5-7,9-10,12-13,18H,4,8,11,14-16H2,(H,21,22).
What are the key properties of N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine?
N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine has a molecular weight of 320.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine is sourced from PubChem (CID 166362988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).