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

C20H31ClN2 — CID 119932289

IUPAC1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride
SMILESCl.c1ccc2c(c1)CCCC21CCCN(CC2CCNCC2)C1
InChIInChI=1S/C20H30N2.ClH/c1-2-7-19-18(5-1)6-3-10-20(19)11-4-14-22(16-20)15-17-8-12-21-13-9-17;/h1-2,5,7,17,21H,3-4,6,8-16H2;1H
InChIKeyUTNZQEXCHZHSQD-UHFFFAOYSA-N
MW334.94 g/mol
LogP3.78
Rot. Bonds2

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

1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride (PubChem CID 119932289) has the molecular formula C20H31ClN2 and a molecular weight of 334.94 g/mol. Its IUPAC name is 1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride
PubChem CID119932289
Molecular FormulaC20H31ClN2
Molecular Weight334.94 g/mol
Exact Mass334.22
IUPAC Name1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride
SMILESCl.c1ccc2c(c1)CCCC21CCCN(CC2CCNCC2)C1
InChIInChI=1S/C20H30N2.ClH/c1-2-7-19-18(5-1)6-3-10-20(19)11-4-14-22(16-20)15-17-8-12-21-13-9-17;/h1-2,5,7,17,21H,3-4,6,8-16H2;1H
InChIKeyUTNZQEXCHZHSQD-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.94
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride?
The IUPAC name of 1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride (CID 119932289) is 1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride.
What is the SMILES notation for 1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride?
The canonical SMILES for 1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride is Cl.c1ccc2c(c1)CCCC21CCCN(CC2CCNCC2)C1.
What is the InChIKey of 1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride?
The InChIKey is UTNZQEXCHZHSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2.ClH/c1-2-7-19-18(5-1)6-3-10-20(19)11-4-14-22(16-20)15-17-8-12-21-13-9-17;/h1-2,5,7,17,21H,3-4,6,8-16H2;1H.
What are the key properties of 1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride?
1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride has a molecular weight of 334.94 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride is sourced from PubChem (CID 119932289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).