1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane

C14H27N3 — CID 170605064

IUPAC1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane
SMILESCC(C)C.CN1CCN(C2=CCCN=C2)CC1
InChIInChI=1S/C10H17N3.C4H10/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10;1-4(2)3/h3,9H,2,4-8H2,1H3;4H,1-3H3
InChIKeyAGVJFPNSVIGLEZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.25
Rot. Bonds1

About 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane

1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane (PubChem CID 170605064) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane
PubChem CID170605064
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane
SMILESCC(C)C.CN1CCN(C2=CCCN=C2)CC1
InChIInChI=1S/C10H17N3.C4H10/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10;1-4(2)3/h3,9H,2,4-8H2,1H3;4H,1-3H3
InChIKeyAGVJFPNSVIGLEZ-UHFFFAOYSA-N
XLogP2.25
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Ethylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 70889952
4-Methyl-7-(4-methylpiperazin-1-yl)-4,5-dihydroazocine
CID 90746711
1-(3,4-Dihydropyridin-6-ylmethyl)-4-methylpiperazine
CID 122519367
1-(2,3-Dihydropyridin-4-yl)-4-methylpiperazine
CID 123139522
6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine
CID 134355345
2-methyl-6-[(4-propylpiperazin-1-yl)methyl]-4H-azepine
CID 134406208
(E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine
CID 145197749
(Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]-2-[(4-methylpiperazin-1-yl)methyl]but-2-en-1-imine
CID 145198155
1-(2-Methyl-2,3-dihydropyridin-4-yl)-4-(2-methylpropyl)piperazine
CID 156376913
(E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine
CID 162762932
6,9-dimethyl-4,8-dihydro-3H-pyrido[1,2-a]pyrazine
CID 166807036
2-Methyl-6-methylidene-1,3-di(propan-2-yl)pyrazine
CID 168412584

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane?
The IUPAC name of 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane (CID 170605064) is 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane.
What is the SMILES notation for 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane?
The canonical SMILES for 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane is CC(C)C.CN1CCN(C2=CCCN=C2)CC1.
What is the InChIKey of 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane?
The InChIKey is AGVJFPNSVIGLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C4H10/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10;1-4(2)3/h3,9H,2,4-8H2,1H3;4H,1-3H3.
What are the key properties of 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane?
1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane has a molecular weight of 237.39 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;2-methylpropane is sourced from PubChem (CID 170605064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).