1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one

C16H27NO — CID 3628449

IUPAC1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(CN3CCCCC3)C1=O)C2(C)C
InChIInChI=1S/C16H27NO/c1-15(2)13-7-8-16(15,3)14(18)12(13)11-17-9-5-4-6-10-17/h12-13H,4-11H2,1-3H3
InChIKeyBPUVTPQEHYIPFV-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.11
Rot. Bonds2

About 1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one

1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 3628449) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one
PubChem CID3628449
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(CN3CCCCC3)C1=O)C2(C)C
InChIInChI=1S/C16H27NO/c1-15(2)13-7-8-16(15,3)14(18)12(13)11-17-9-5-4-6-10-17/h12-13H,4-11H2,1-3H3
InChIKeyBPUVTPQEHYIPFV-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Piperidinomethyl)-2-norbornanone
CID 256830
3-(4-Methylpiperazinomethyl)-2-norbornanone
CID 258290
Bicyclo(2.2.1)heptan-2-one, 1-((dimethylamino)methyl)-7,7-dimethyl-
CID 42682
2-Bornanone, 3-((diethylamino)methyl)-, hydrochloride
CID 34376
4,7-Methano-5H-inden-5-one, octahydro-6-(1-piperidinylmethyl)-, (3a-alpha,4-beta,7-beta,7a-alpha)-
CID 3056028
(1S,4S)-1,7,7-trimethyl-3-[(1-methylpiperidin-2-yl)methyl]bicyclo[2.2.1]heptan-2-one
CID 44350051
3-[(Dimethylamino)methyl]bicyclo[2.2.1]heptan-2-one
CID 256508
Dimethylaminoathylcampher
CID 22992570
7,7-Dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one
CID 91286476
Diathylaminoathylcampher
CID 129640479
2-(1-Fluoropiperidin-4-yl)-1,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-carboxamide
CID 87785635
3-(Diethylaminomethyl)bicyclo[2.2.1]heptan-2-one
CID 24840605

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one (CID 3628449) is 1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one is CC12CCC(C(CN3CCCCC3)C1=O)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is BPUVTPQEHYIPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2)13-7-8-16(15,3)14(18)12(13)11-17-9-5-4-6-10-17/h12-13H,4-11H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one?
1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 249.40 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 3628449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).