1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine

C18H30N4 — CID 92619861

IUPAC1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
SMILESCc1cc(N2CCN(CC(C)C)CC2)cc([C@@H]2CCCN2)n1
InChIInChI=1S/C18H30N4/c1-14(2)13-21-7-9-22(10-8-21)16-11-15(3)20-18(12-16)17-5-4-6-19-17/h11-12,14,17,19H,4-10,13H2,1-3H3/t17-/m0/s1
InChIKeyGWOZUDNYYIAUMY-KRWDZBQOSA-N
MW302.47 g/mol
LogP2.59
Rot. Bonds4

About 1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine

1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine (PubChem CID 92619861) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
PubChem CID92619861
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
SMILESCc1cc(N2CCN(CC(C)C)CC2)cc([C@@H]2CCCN2)n1
InChIInChI=1S/C18H30N4/c1-14(2)13-21-7-9-22(10-8-21)16-11-15(3)20-18(12-16)17-5-4-6-19-17/h11-12,14,17,19H,4-10,13H2,1-3H3/t17-/m0/s1
InChIKeyGWOZUDNYYIAUMY-KRWDZBQOSA-N
XLogP2.59
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine?
The IUPAC name of 1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine (CID 92619861) is 1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine is Cc1cc(N2CCN(CC(C)C)CC2)cc([C@@H]2CCCN2)n1.
What is the InChIKey of 1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine?
The InChIKey is GWOZUDNYYIAUMY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N4/c1-14(2)13-21-7-9-22(10-8-21)16-11-15(3)20-18(12-16)17-5-4-6-19-17/h11-12,14,17,19H,4-10,13H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine?
1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine has a molecular weight of 302.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine is sourced from PubChem (CID 92619861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).