2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one

C14H26N2O — CID 62613226

IUPAC2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one
SMILESCC(C)(C)N1CCN(CC2CCCC2=O)CC1
InChIInChI=1S/C14H26N2O/c1-14(2,3)16-9-7-15(8-10-16)11-12-5-4-6-13(12)17/h12H,4-11H2,1-3H3
InChIKeyLXAGPFHRYOJQNX-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.77
Rot. Bonds2

About 2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one

2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one (PubChem CID 62613226) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one
PubChem CID62613226
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one
SMILESCC(C)(C)N1CCN(CC2CCCC2=O)CC1
InChIInChI=1S/C14H26N2O/c1-14(2,3)16-9-7-15(8-10-16)11-12-5-4-6-13(12)17/h12H,4-11H2,1-3H3
InChIKeyLXAGPFHRYOJQNX-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-one
CID 62968449
2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 62615095
2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one
CID 62613350
2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one
CID 62613844
2-(azetidin-1-ylmethyl)cycloheptan-1-one
CID 130548358
2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 55133325
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one
CID 63160112
2-(1,2,5-dithiazepan-5-ylmethyl)cyclohexan-1-one
CID 131154504
2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one
CID 63624486
2-[(4-propan-2-ylpiperidin-1-yl)methyl]cycloheptan-1-one
CID 103502471
2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 63007742
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one
CID 55158565

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one (CID 62613226) is 2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one is CC(C)(C)N1CCN(CC2CCCC2=O)CC1.
What is the InChIKey of 2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one?
The InChIKey is LXAGPFHRYOJQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,3)16-9-7-15(8-10-16)11-12-5-4-6-13(12)17/h12H,4-11H2,1-3H3.
What are the key properties of 2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one?
2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one has a molecular weight of 238.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 62613226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).