5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine

C16H27N3 — CID 64838551

IUPAC5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
SMILESCC(C)CC1CNC(C)(C)CN1Cc1ccncc1
InChIInChI=1S/C16H27N3/c1-13(2)9-15-10-18-16(3,4)12-19(15)11-14-5-7-17-8-6-14/h5-8,13,15,18H,9-12H2,1-4H3
InChIKeyLKWNCOVLNBZCKI-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.68
Rot. Bonds4

About 5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine

5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64838551) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64838551
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
SMILESCC(C)CC1CNC(C)(C)CN1Cc1ccncc1
InChIInChI=1S/C16H27N3/c1-13(2)9-15-10-18-16(3,4)12-19(15)11-14-5-7-17-8-6-14/h5-8,13,15,18H,9-12H2,1-4H3
InChIKeyLKWNCOVLNBZCKI-UHFFFAOYSA-N
XLogP2.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine (CID 64838551) is 5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine is CC(C)CC1CNC(C)(C)CN1Cc1ccncc1.
What is the InChIKey of 5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is LKWNCOVLNBZCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)9-15-10-18-16(3,4)12-19(15)11-14-5-7-17-8-6-14/h5-8,13,15,18H,9-12H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine?
5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 261.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64838551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).