1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine

C20H29NO — CID 58772230

IUPAC1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine
SMILESCCOc1ccccc1C1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C20H29NO/c1-2-22-20-6-4-3-5-18(20)16-9-11-21(12-10-16)19-14-15-7-8-17(19)13-15/h3-6,15-17,19H,2,7-14H2,1H3/t15-,17-,19-/m0/s1
InChIKeyTXJADLJJBGWIHD-IEZWGBDMSA-N
MW299.46 g/mol
LogP4.45
Rot. Bonds4

About 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine

1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine (PubChem CID 58772230) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine.

Molecular Properties

Compound Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine
PubChem CID58772230
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine
SMILESCCOc1ccccc1C1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C20H29NO/c1-2-22-20-6-4-3-5-18(20)16-9-11-21(12-10-16)19-14-15-7-8-17(19)13-15/h3-6,15-17,19H,2,7-14H2,1H3/t15-,17-,19-/m0/s1
InChIKeyTXJADLJJBGWIHD-IEZWGBDMSA-N
XLogP4.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine?
The IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine (CID 58772230) is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine.
What is the SMILES notation for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine?
The canonical SMILES for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine is CCOc1ccccc1C1CCN([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-(2-ethoxyphenyl)piperidine?
The InChIKey is TXJADLJJBGWIHD-IEZWGBDMSA-N. The full InChI is InChI=1S/C20H29NO/c1-2-22-20-6-4-3-5-18(20)16-9-11-21(12-10-16)19-14-15-7-8-17(19)13-15/h3-6,15-17,19H,2,7-14H2,1H3/t15-,17-,19-/m0/s1.
What are the key properties of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine?
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine has a molecular weight of 299.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine is sourced from PubChem (CID 58772230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).