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

C18H26ClN — CID 54586714

IUPAC1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
SMILESCl.c1ccc2c(c1)CCCC21CCN(CC2CC2)CC1
InChIInChI=1S/C18H25N.ClH/c1-2-6-17-16(4-1)5-3-9-18(17)10-12-19(13-11-18)14-15-7-8-15;/h1-2,4,6,15H,3,5,7-14H2;1H
InChIKeyYBHWILOFNHVLGJ-UHFFFAOYSA-N
MW291.87 g/mol
LogP4.19
Rot. Bonds2

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

1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride (PubChem CID 54586714) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
PubChem CID54586714
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC Name1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
SMILESCl.c1ccc2c(c1)CCCC21CCN(CC2CC2)CC1
InChIInChI=1S/C18H25N.ClH/c1-2-6-17-16(4-1)5-3-9-18(17)10-12-19(13-11-18)14-15-7-8-15;/h1-2,4,6,15H,3,5,7-14H2;1H
InChIKeyYBHWILOFNHVLGJ-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The IUPAC name of 1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride (CID 54586714) is 1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride is Cl.c1ccc2c(c1)CCCC21CCN(CC2CC2)CC1.
What is the InChIKey of 1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The InChIKey is YBHWILOFNHVLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N.ClH/c1-2-6-17-16(4-1)5-3-9-18(17)10-12-19(13-11-18)14-15-7-8-15;/h1-2,4,6,15H,3,5,7-14H2;1H.
What are the key properties of 1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride has a molecular weight of 291.87 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride is sourced from PubChem (CID 54586714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).