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

C19H27ClN2O — CID 119340083

IUPACpyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCCC2(CCCc3ccccc32)C1
InChIInChI=1S/C19H26N2O.ClH/c22-18(17-9-4-12-20-17)21-13-5-11-19(14-21)10-3-7-15-6-1-2-8-16(15)19;/h1-2,6,8,17,20H,3-5,7,9-14H2;1H
InChIKeyKPKRZOGXNACVLV-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.06
Rot. Bonds1

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

pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride (PubChem CID 119340083) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride
PubChem CID119340083
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Namepyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCCC2(CCCc3ccccc32)C1
InChIInChI=1S/C19H26N2O.ClH/c22-18(17-9-4-12-20-17)21-13-5-11-19(14-21)10-3-7-15-6-1-2-8-16(15)19;/h1-2,6,8,17,20H,3-5,7,9-14H2;1H
InChIKeyKPKRZOGXNACVLV-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride?
The IUPAC name of pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride (CID 119340083) is pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride.
What is the SMILES notation for pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride?
The canonical SMILES for pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride is Cl.O=C(C1CCCN1)N1CCCC2(CCCc3ccccc32)C1.
What is the InChIKey of pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride?
The InChIKey is KPKRZOGXNACVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.ClH/c22-18(17-9-4-12-20-17)21-13-5-11-19(14-21)10-3-7-15-6-1-2-8-16(15)19;/h1-2,6,8,17,20H,3-5,7,9-14H2;1H.
What are the key properties of pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride?
pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride is sourced from PubChem (CID 119340083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).