1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine

C14H23N3 — CID 64952393

IUPAC1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine
SMILESCc1ccc(CN2CCNC(C(C)C)C2)cn1
InChIInChI=1S/C14H23N3/c1-11(2)14-10-17(7-6-15-14)9-13-5-4-12(3)16-8-13/h4-5,8,11,14-15H,6-7,9-10H2,1-3H3
InChIKeyXCKGTTCLKKLUJL-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.82
Rot. Bonds3

About 1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine

1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine (PubChem CID 64952393) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine
PubChem CID64952393
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine
SMILESCc1ccc(CN2CCNC(C(C)C)C2)cn1
InChIInChI=1S/C14H23N3/c1-11(2)14-10-17(7-6-15-14)9-13-5-4-12(3)16-8-13/h4-5,8,11,14-15H,6-7,9-10H2,1-3H3
InChIKeyXCKGTTCLKKLUJL-UHFFFAOYSA-N
XLogP1.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine?
The IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine (CID 64952393) is 1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine?
The canonical SMILES for 1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine is Cc1ccc(CN2CCNC(C(C)C)C2)cn1.
What is the InChIKey of 1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine?
The InChIKey is XCKGTTCLKKLUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)14-10-17(7-6-15-14)9-13-5-4-12(3)16-8-13/h4-5,8,11,14-15H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine?
1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine has a molecular weight of 233.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine is sourced from PubChem (CID 64952393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).