1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine

C17H28N4 — CID 102541673

IUPAC1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine
SMILESCC(C)N1CCCCC1c1cccnc1N1CCNCC1
InChIInChI=1S/C17H28N4/c1-14(2)21-11-4-3-7-16(21)15-6-5-8-19-17(15)20-12-9-18-10-13-20/h5-6,8,14,16,18H,3-4,7,9-13H2,1-2H3
InChIKeyBQXACZFROBBEAK-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.43
Rot. Bonds3

About 1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine

1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine (PubChem CID 102541673) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine
PubChem CID102541673
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine
SMILESCC(C)N1CCCCC1c1cccnc1N1CCNCC1
InChIInChI=1S/C17H28N4/c1-14(2)21-11-4-3-7-16(21)15-6-5-8-19-17(15)20-12-9-18-10-13-20/h5-6,8,14,16,18H,3-4,7,9-13H2,1-2H3
InChIKeyBQXACZFROBBEAK-UHFFFAOYSA-N
XLogP2.43
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine (CID 102541673) is 1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine is CC(C)N1CCCCC1c1cccnc1N1CCNCC1.
What is the InChIKey of 1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine?
The InChIKey is BQXACZFROBBEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-14(2)21-11-4-3-7-16(21)15-6-5-8-19-17(15)20-12-9-18-10-13-20/h5-6,8,14,16,18H,3-4,7,9-13H2,1-2H3.
What are the key properties of 1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine?
1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine has a molecular weight of 288.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]piperazine is sourced from PubChem (CID 102541673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).