3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine

C14H23N3 — CID 64831721

IUPAC3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccncc2)CCN1
InChIInChI=1S/C14H23N3/c1-3-12(2)14-11-17(9-8-16-14)10-13-4-6-15-7-5-13/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyOLXDAPBVTOFCSW-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.90
Rot. Bonds4

About 3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine

3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64831721) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64831721
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccncc2)CCN1
InChIInChI=1S/C14H23N3/c1-3-12(2)14-11-17(9-8-16-14)10-13-4-6-15-7-5-13/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyOLXDAPBVTOFCSW-UHFFFAOYSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine
CID 106897929
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine
CID 64831519
3-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-1,4-diazepane
CID 105410193
3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine
CID 64832896
4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline
CID 79232784
3-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 64952957
5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64848063
5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64850164
5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64847262
3-butan-2-yl-1-[(4-chloro-2-fluorophenyl)methyl]piperazine
CID 114860303
(1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol
CID 92978714

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine (CID 64831721) is 3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine is CCC(C)C1CN(Cc2ccncc2)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is OLXDAPBVTOFCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-12(2)14-11-17(9-8-16-14)10-13-4-6-15-7-5-13/h4-7,12,14,16H,3,8-11H2,1-2H3.
What are the key properties of 3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 233.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64831721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).