5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine

C16H28N4 — CID 103502336

IUPAC5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CN2CCC(C(C)C)CC2)cn1
InChIInChI=1S/C16H28N4/c1-4-7-17-16-11-18-15(10-19-16)12-20-8-5-14(6-9-20)13(2)3/h10-11,13-14H,4-9,12H2,1-3H3,(H,17,19)
InChIKeyFHMQQLQDQIMUHH-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.17
Rot. Bonds6

About 5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine

5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine (PubChem CID 103502336) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
PubChem CID103502336
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CN2CCC(C(C)C)CC2)cn1
InChIInChI=1S/C16H28N4/c1-4-7-17-16-11-18-15(10-19-16)12-20-8-5-14(6-9-20)13(2)3/h10-11,13-14H,4-9,12H2,1-3H3,(H,17,19)
InChIKeyFHMQQLQDQIMUHH-UHFFFAOYSA-N
XLogP3.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103502422
2-[1-[[5-(propylamino)pyrazin-2-yl]methyl]piperidin-4-yl]oxyethanol
CID 103056751
N-methyl-1-[[5-(propylamino)pyrazin-2-yl]methyl]piperidine-4-carboxamide
CID 103056085
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056527
N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine
CID 103056905
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine
CID 103056605
5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103056437
5-[[3-(dimethylamino)piperidin-1-yl]methyl]-N-propylpyrazin-2-amine
CID 103056582
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine
CID 103055458
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103055739
N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056522
N-methyl-5-[(4-propylpiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056267

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine (CID 103502336) is 5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine is CCCNc1cnc(CN2CCC(C(C)C)CC2)cn1.
What is the InChIKey of 5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine?
The InChIKey is FHMQQLQDQIMUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-7-17-16-11-18-15(10-19-16)12-20-8-5-14(6-9-20)13(2)3/h10-11,13-14H,4-9,12H2,1-3H3,(H,17,19).
What are the key properties of 5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine?
5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103502336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).