1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine

C13H21N3 — CID 138459736

IUPAC1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCNCC2)nc1
InChIInChI=1S/C13H21N3/c1-11(2)12-3-4-13(15-9-12)10-16-7-5-14-6-8-16/h3-4,9,11,14H,5-8,10H2,1-2H3
InChIKeyHWXSTKCPASIYDN-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.61
Rot. Bonds3

About 1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine

1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine (PubChem CID 138459736) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
PubChem CID138459736
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCNCC2)nc1
InChIInChI=1S/C13H21N3/c1-11(2)12-3-4-13(15-9-12)10-16-7-5-14-6-8-16/h3-4,9,11,14H,5-8,10H2,1-2H3
InChIKeyHWXSTKCPASIYDN-UHFFFAOYSA-N
XLogP1.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine
CID 58154560
2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane
CID 177083591
[6-(piperazin-1-ylmethyl)-3-pyridinyl]methanol
CID 142409544
1-[(5-bromo-2-pyridinyl)methyl]-1,4-diazepane
CID 115741251
1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 162536610
5-(piperazin-1-ylmethyl)pyrazin-2-amine
CID 117213222
2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64771238
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
3-methyl-6-(piperazin-1-ylmethyl)pyridazine
CID 82604790

Frequently Asked Questions

What is the IUPAC name of 1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine (CID 138459736) is 1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine is CC(C)c1ccc(CN2CCNCC2)nc1.
What is the InChIKey of 1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine?
The InChIKey is HWXSTKCPASIYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11(2)12-3-4-13(15-9-12)10-16-7-5-14-6-8-16/h3-4,9,11,14H,5-8,10H2,1-2H3.
What are the key properties of 1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine?
1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine has a molecular weight of 219.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 138459736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).