2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol

C18H25NO — CID 58772232

IUPAC2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol
SMILESOc1ccccc1C1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C18H25NO/c20-18-4-2-1-3-16(18)14-7-9-19(10-8-14)17-12-13-5-6-15(17)11-13/h1-4,13-15,17,20H,5-12H2/t13-,15-,17-/m0/s1
InChIKeyPCLFOLBPVXOLBB-QRTARXTBSA-N
MW271.40 g/mol
LogP3.76
Rot. Bonds2

About 2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol

2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol (PubChem CID 58772232) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol
PubChem CID58772232
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol
SMILESOc1ccccc1C1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C18H25NO/c20-18-4-2-1-3-16(18)14-7-9-19(10-8-14)17-12-13-5-6-15(17)11-13/h1-4,13-15,17,20H,5-12H2/t13-,15-,17-/m0/s1
InChIKeyPCLFOLBPVXOLBB-QRTARXTBSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol?
The IUPAC name of 2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol (CID 58772232) is 2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol.
What is the SMILES notation for 2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol?
The canonical SMILES for 2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol is Oc1ccccc1C1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol?
The InChIKey is PCLFOLBPVXOLBB-QRTARXTBSA-N. The full InChI is InChI=1S/C18H25NO/c20-18-4-2-1-3-16(18)14-7-9-19(10-8-14)17-12-13-5-6-15(17)11-13/h1-4,13-15,17,20H,5-12H2/t13-,15-,17-/m0/s1.
What are the key properties of 2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol?
2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol has a molecular weight of 271.40 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol is sourced from PubChem (CID 58772232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).