1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride

C19H24ClNO — CID 54585706

IUPAC1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
SMILESCl.c1coc(CN2CCC3(CCCc4ccccc43)CC2)c1
InChIInChI=1S/C19H23NO.ClH/c1-2-8-18-16(5-1)6-3-9-19(18)10-12-20(13-11-19)15-17-7-4-14-21-17;/h1-2,4-5,7-8,14H,3,6,9-13,15H2;1H
InChIKeyNFEUZLGCMGOCPR-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.57
Rot. Bonds2

About 1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride

1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride (PubChem CID 54585706) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
PubChem CID54585706
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
SMILESCl.c1coc(CN2CCC3(CCCc4ccccc43)CC2)c1
InChIInChI=1S/C19H23NO.ClH/c1-2-8-18-16(5-1)6-3-9-19(18)10-12-20(13-11-19)15-17-7-4-14-21-17;/h1-2,4-5,7-8,14H,3,6,9-13,15H2;1H
InChIKeyNFEUZLGCMGOCPR-UHFFFAOYSA-N
XLogP4.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The IUPAC name of 1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride (CID 54585706) is 1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride is Cl.c1coc(CN2CCC3(CCCc4ccccc43)CC2)c1.
What is the InChIKey of 1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The InChIKey is NFEUZLGCMGOCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c1-2-8-18-16(5-1)6-3-9-19(18)10-12-20(13-11-19)15-17-7-4-14-21-17;/h1-2,4-5,7-8,14H,3,6,9-13,15H2;1H.
What are the key properties of 1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride is sourced from PubChem (CID 54585706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).