1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine

C14H25N3 — CID 90871964

IUPAC1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
SMILESCC1C=CC=NC1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H25N3/c1-12-6-5-7-15-13(12)16-8-10-17(11-9-16)14(2,3)4/h5-7,12-13H,8-11H2,1-4H3
InChIKeyQLDRTWXMTDPTQQ-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.01
Rot. Bonds1

About 1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine

1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine (PubChem CID 90871964) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
PubChem CID90871964
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
SMILESCC1C=CC=NC1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H25N3/c1-12-6-5-7-15-13(12)16-8-10-17(11-9-16)14(2,3)4/h5-7,12-13H,8-11H2,1-4H3
InChIKeyQLDRTWXMTDPTQQ-UHFFFAOYSA-N
XLogP2.01
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine
CID 144656714
1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine
CID 58270271
1-(5-Methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine
CID 70843752
2-(4-Tert-butylpiperazin-1-yl)-5-methyl-4,5-dihydroazocine
CID 90748469
1-Ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
CID 91490711
1-(3-Methyl-2,3-dihydropyridin-2-yl)piperazine
CID 146890252
4-(2,3-Dihydropyridin-3-yl)-1,2,2-trimethylpiperazine
CID 169847271
(Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine
CID 169103840

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine?
The IUPAC name of 1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine (CID 90871964) is 1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine is CC1C=CC=NC1N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine?
The InChIKey is QLDRTWXMTDPTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12-6-5-7-15-13(12)16-8-10-17(11-9-16)14(2,3)4/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine?
1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine has a molecular weight of 235.38 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine is sourced from PubChem (CID 90871964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).