1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one

C14H27NO — CID 70657702

IUPAC1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO/c1-11(2)10-13(16)15-8-6-12(7-9-15)14(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyKBEYEPUCYZZHFO-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.32
Rot. Bonds2

About 1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one

1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one (PubChem CID 70657702) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
PubChem CID70657702
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO/c1-11(2)10-13(16)15-8-6-12(7-9-15)14(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyKBEYEPUCYZZHFO-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 165439664
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one
CID 60946615
1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone
CID 62084699
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 62086138
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981
N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
CID 130209713
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one (CID 70657702) is 1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one?
The InChIKey is KBEYEPUCYZZHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)10-13(16)15-8-6-12(7-9-15)14(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one?
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 70657702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).