3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane

C17H25ClN2 — CID 150555367

IUPAC3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane
SMILESC[C@@H](c1ccc(Cl)cc1)N1CCC2(CCCCC2)NC1
InChIInChI=1S/C17H25ClN2/c1-14(15-5-7-16(18)8-6-15)20-12-11-17(19-13-20)9-3-2-4-10-17/h5-8,14,19H,2-4,9-13H2,1H3/t14-/m0/s1
InChIKeyIISSAWVMBGBCQQ-AWEZNQCLSA-N
MW292.85 g/mol
LogP4.36
Rot. Bonds2

About 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane

3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane (PubChem CID 150555367) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane
PubChem CID150555367
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane
SMILESC[C@@H](c1ccc(Cl)cc1)N1CCC2(CCCCC2)NC1
InChIInChI=1S/C17H25ClN2/c1-14(15-5-7-16(18)8-6-15)20-12-11-17(19-13-20)9-3-2-4-10-17/h5-8,14,19H,2-4,9-13H2,1H3/t14-/m0/s1
InChIKeyIISSAWVMBGBCQQ-AWEZNQCLSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane?
The IUPAC name of 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane (CID 150555367) is 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane?
The canonical SMILES for 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane is C[C@@H](c1ccc(Cl)cc1)N1CCC2(CCCCC2)NC1.
What is the InChIKey of 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane?
The InChIKey is IISSAWVMBGBCQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-14(15-5-7-16(18)8-6-15)20-12-11-17(19-13-20)9-3-2-4-10-17/h5-8,14,19H,2-4,9-13H2,1H3/t14-/m0/s1.
What are the key properties of 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane?
3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane has a molecular weight of 292.85 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane is sourced from PubChem (CID 150555367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).