1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine

C20H29N — CID 124635425

IUPAC1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine
SMILESCc1ccccc1C1CCN(C2C[C@H]3CC[C@H](C2)C3)CC1
InChIInChI=1S/C20H29N/c1-15-4-2-3-5-20(15)18-8-10-21(11-9-18)19-13-16-6-7-17(12-16)14-19/h2-5,16-19H,6-14H2,1H3/t16-,17-/m0/s1
InChIKeyUUWDJEXTLUNSDX-IRXDYDNUSA-N
MW283.46 g/mol
LogP4.75
Rot. Bonds2

About 1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine

1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine (PubChem CID 124635425) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine.

Molecular Properties

Compound Name1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine
PubChem CID124635425
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine
SMILESCc1ccccc1C1CCN(C2C[C@H]3CC[C@H](C2)C3)CC1
InChIInChI=1S/C20H29N/c1-15-4-2-3-5-20(15)18-8-10-21(11-9-18)19-13-16-6-7-17(12-16)14-19/h2-5,16-19H,6-14H2,1H3/t16-,17-/m0/s1
InChIKeyUUWDJEXTLUNSDX-IRXDYDNUSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine?
The IUPAC name of 1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine (CID 124635425) is 1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine.
What is the SMILES notation for 1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine?
The canonical SMILES for 1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine is Cc1ccccc1C1CCN(C2C[C@H]3CC[C@H](C2)C3)CC1.
What is the InChIKey of 1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine?
The InChIKey is UUWDJEXTLUNSDX-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H29N/c1-15-4-2-3-5-20(15)18-8-10-21(11-9-18)19-13-16-6-7-17(12-16)14-19/h2-5,16-19H,6-14H2,1H3/t16-,17-/m0/s1.
What are the key properties of 1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine?
1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine has a molecular weight of 283.46 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine is sourced from PubChem (CID 124635425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).