1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine

C18H33N3 — CID 124864863

IUPAC1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine
SMILESC[C@@H]1CN(C)CC[C@H]1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C18H33N3/c1-14-13-19(2)6-5-17(14)20-7-9-21(10-8-20)18-12-15-3-4-16(18)11-15/h14-18H,3-13H2,1-2H3/t14-,15+,16+,17-,18+/m1/s1
InChIKeyGGQSBOCUQAGLCO-ICUGJSFKSA-N
MW291.48 g/mol
LogP2.13
Rot. Bonds2

About 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine

1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine (PubChem CID 124864863) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine
PubChem CID124864863
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine
SMILESC[C@@H]1CN(C)CC[C@H]1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C18H33N3/c1-14-13-19(2)6-5-17(14)20-7-9-21(10-8-20)18-12-15-3-4-16(18)11-15/h14-18H,3-13H2,1-2H3/t14-,15+,16+,17-,18+/m1/s1
InChIKeyGGQSBOCUQAGLCO-ICUGJSFKSA-N
XLogP2.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine with MolForge

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Related Compounds

1-Bicyclo[2.2.1]hept-2-yl-4-piperidylpiperidine
CID 600835
Cambridge id 5460331
CID 2846512
Cambridge id 5461715
CID 2846568
1-Bicyclo[2.2.1]hept-2-yl-4-cyclopentylpiperazine
CID 2881230
1-Bicyclo[2.2.1]hept-2-YL-4-isopropylpiperazine
CID 2881268
1-(2-Bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylpropyl)piperazine
CID 122645242
1-(2-Bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine
CID 139318530
1-(2-Bicyclo[2.2.1]heptanyl)-4-(2,2-dimethylbutyl)piperazine
CID 139318531
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-propan-2-ylpiperazine
CID 742679
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclopentylpiperazine
CID 742687
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-piperidin-1-ylpiperidine
CID 766837
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine
CID 784391

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine?
The IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine (CID 124864863) is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine.
What is the SMILES notation for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine?
The canonical SMILES for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine is C[C@@H]1CN(C)CC[C@H]1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine?
The InChIKey is GGQSBOCUQAGLCO-ICUGJSFKSA-N. The full InChI is InChI=1S/C18H33N3/c1-14-13-19(2)6-5-17(14)20-7-9-21(10-8-20)18-12-15-3-4-16(18)11-15/h14-18H,3-13H2,1-2H3/t14-,15+,16+,17-,18+/m1/s1.
What are the key properties of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine?
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine has a molecular weight of 291.48 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine is sourced from PubChem (CID 124864863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).